2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide

• ChemBase ID: 434371
• Molecular Formular: C18H23N3O3S
• Molecular Mass: 361.45852
• Monoisotopic Mass: 361.14601261
• SMILES: S(=O)(=O)(c1ccc(CNC(=O)C(c2ccc(cc2)C)N(C)C)cc1)N
• Canonical SMILES: CN(C(c1ccc(cc1)C)C(=O)NCc1ccc(cc1)S(=O)(=O)N)C
• InChI: InChI=1S/C18H23N3O3S/c1-13-4-8-15(9-5-13)17(21(2)3)18(22)20-12-14-6-10-16(11-7-14)25(19,23)24/h4-11,17H,12H2,1-3H3,(H,20,22)(H2,19,23,24)
• InChIKey: MULGYCGOMAWZBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]acetamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-2-(dimethylamino)-2-(4-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.217879
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.010047926
• LogD (pH = 7.4): 1.5737262
• Log P: 1.8652409
• Molar Refractivity: 98.9612 cm^3
• Polarizability: 38.89413 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.64
• LOG S: -3.23
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 6