4-(cyclopropylsulfamoyl)-N-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]benzamide

• ChemBase ID: 437222
• Molecular Formular: C20H22N2O3S
• Molecular Mass: 370.46528
• Monoisotopic Mass: 370.13511357
• SMILES: S(=O)(=O)(NC1CC1)c1ccc(C(=O)N(C/C=C/c2ccccc2)C)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C20H22N2O3S/c1-22(15-5-8-16-6-3-2-4-7-16)20(23)17-9-13-19(14-10-17)26(24,25)21-18-11-12-18/h2-10,13-14,18,21H,11-12,15H2,1H3/b8-5+
• InChIKey: GBWIQCLDYKBUCS-VMPITWQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylsulfamoyl)-N-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]benzamide
• IUPAC Traditional name: 4-(cyclopropylsulfamoyl)-N-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]benzamide
• Synonyms: 4-[(cyclopropylamino)sulfonyl]-N-methyl-N-[(2E)-3-phenyl-2-propen-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.881671
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9008822
• LogD (pH = 7.4): 2.8996315
• Log P: 2.9008985
• Molar Refractivity: 104.1268 cm^3
• Polarizability: 40.01831 Å^3
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.39
• LOG S: -3.94
• Polar Surface Area: 66.48 Å^2
• Rotatable Bonds: 6