N,3,4-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide

• ChemBase ID: 327818
• Molecular Formular: C19H22N2O3S
• Molecular Mass: 358.45458
• Monoisotopic Mass: 358.13511357
• SMILES: S(=O)(=O)(c1cc(C(=O)N(C/C=C/c2ccccc2)C)cc(c1C)C)N
• Canonical SMILES: O=C(c1cc(C)c(c(c1)S(=O)(=O)N)C)N(C/C=C/c1ccccc1)C
• InChI: InChI=1S/C19H22N2O3S/c1-14-12-17(13-18(15(14)2)25(20,23)24)19(22)21(3)11-7-10-16-8-5-4-6-9-16/h4-10,12-13H,11H2,1-3H3,(H2,20,23,24)/b10-7+
• InChIKey: YAZNSMPFMCKOJR-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,4-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide
• IUPAC Traditional name: N,3,4-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]-5-sulfamoylbenzamide
• Synonyms: 3-(aminosulfonyl)-N,4,5-trimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.176148
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2384923
• LogD (pH = 7.4): 3.2378569
• Log P: 3.2385006
• Molar Refractivity: 102.1013 cm^3
• Polarizability: 38.752598 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -4.06
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 5