N-[1-(3,4-dimethyl-5-sulfamoylbenzoyl)piperidin-3-yl]acetamide

• ChemBase ID: 348322
• Molecular Formular: C16H23N3O4S
• Molecular Mass: 353.43652
• Monoisotopic Mass: 353.14092723
• SMILES: S(=O)(=O)(c1cc(C(=O)N2CC(NC(=O)C)CCC2)cc(c1C)C)N
• Canonical SMILES: CC(=O)NC1CCCN(C1)C(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C
• InChI: InChI=1S/C16H23N3O4S/c1-10-7-13(8-15(11(10)2)24(17,22)23)16(21)19-6-4-5-14(9-19)18-12(3)20/h7-8,14H,4-6,9H2,1-3H3,(H,18,20)(H2,17,22,23)
• InChIKey: UDWUEWCMBIMQCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,4-dimethyl-5-sulfamoylbenzoyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: N-[1-(3,4-dimethyl-5-sulfamoylbenzoyl)piperidin-3-yl]acetamide
• Synonyms: N-{1-[3-(aminosulfonyl)-4,5-dimethylbenzoyl]piperidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.176096
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.39153078
• LogD (pH = 7.4): 0.3908954
• Log P: 0.39153913
• Molar Refractivity: 91.7749 cm^3
• Polarizability: 35.409023 Å^3
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.87
• LOG S: -2.34
• Polar Surface Area: 109.57 Å^2
• Rotatable Bonds: 3