3-[(1-acetylpiperidin-4-yl)amino]-N-(2,3-dihydro-1H-inden-2-yl)-5-[(propan-2-yl)sulfamoyl]benzamide

• ChemBase ID: 829591
• Molecular Formular: C26H34N4O4S
• Molecular Mass: 498.63756
• Monoisotopic Mass: 498.23007659
• SMILES: S(=O)(=O)(c1cc(cc(C(=O)NC2Cc3c(C2)cccc3)c1)NC1CCN(C(=O)C)CC1)NC(C)C
• Canonical SMILES: CC(NS(=O)(=O)c1cc(NC2CCN(CC2)C(=O)C)cc(c1)C(=O)NC1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C26H34N4O4S/c1-17(2)29-35(33,34)25-15-21(26(32)28-23-12-19-6-4-5-7-20(19)13-23)14-24(16-25)27-22-8-10-30(11-9-22)18(3)31/h4-7,14-17,22-23,27,29H,8-13H2,1-3H3,(H,28,32)
• InChIKey: FVKGTTYLWQUNDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-acetylpiperidin-4-yl)amino]-N-(2,3-dihydro-1H-inden-2-yl)-5-[(propan-2-yl)sulfamoyl]benzamide
• IUPAC Traditional name: 3-[(1-acetylpiperidin-4-yl)amino]-N-(2,3-dihydro-1H-inden-2-yl)-5-(isopropylsulfamoyl)benzamide
• Synonyms: 3-[(1-acetyl-4-piperidinyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)-5-[(isopropylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.940189
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 1.4890773
• LogD (pH = 7.4): 1.4888026
• Log P: 1.4899205
• Molar Refractivity: 138.5186 cm^3
• Polarizability: 52.872032 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.29
• LOG S: -5.46
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 5