N-(p-Sulfamoylphenethyl)acetamide supplier

Name
N-(P-SULFAMOYLPHENETHYL)ACETAMIDE
EINECS 255-386-5
CAS No. 41472-49-5
Article Data12
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point 168-174 °C
Formula C₁₀H₁₄N₂O₃S
Boiling Point 387.4°C at 760 mmHg
Molecular Weight 242.299
Flash Point 188.1°C
Transport Information
Appearance White powder
Safety
Risk Codes R34
Molecular Structure
Hazard Symbols C
Synonyms Acetamide,N-p-sulfamoylphenethyl- (6CI);4-(2-Acetylaminoethyl)benzenesulfonamide;
PSA 97.64000
LogP 2.18460

N-(p-Sulfamoylphenethyl)acetamide Specification

The systematic name of this chemical is N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide. With the CAS registry number 41472-49-5 and EINECS 255-386-5, it is also named as acetamide, N-[2-[4-(aminosulfonyl)phenyl]ethyl]-. And the molecular formula of this chemical is C₁₀H₁₄N₂O₃S.

The physical properties of N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide are as following: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.09; (6)ACD/KOC (pH 7.4): 9.07; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 66.07 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 61.47 cm³; (13)Molar Volume: 190.1 cm³; (14)Polarizability: 24.37×10^-24cm³; (15)Surface Tension: 49.7 dyne/cm; (16)Density: 1.274 g/cm³.

Uses of N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide: It can react with isocyanatocyclohexane to produce C₁₇H₂₅N₃O₄S. This reaction will need reagent K₂CO₃, and the solvent acetone. The reaction time is 1.5 hours with temperature of 56°C, and the yield is about 45%.

N-(2-(4-(Aminosulphonyl)phenyl)ethyl)acetamide can react with isocyanatocyclohexane to produce C17H25N3O4S

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)CCNC(=O)C)N
(2)InChI: InChI=1/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)
(3)InChIKey: IIMGUEXQORZTID-UHFFFAOYAC

Product Name

N-(P-SULFAMOYLPHENETHYL)ACETAMIDE

N-(p-Sulfamoylphenethyl)acetamide Specification

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