N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 529749
• Molecular Formular: C23H29N3O4S
• Molecular Mass: 443.55906
• Monoisotopic Mass: 443.18787742
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2c3c(CC2)cccc3)cc1)N(C)C
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)S(=O)(=O)N(C)C)NC1CCc2c1cccc2
• InChI: InChI=1S/C23H29N3O4S/c1-25(2)31(28,29)26-15-13-20(14-16-26)30-19-10-7-18(8-11-19)23(27)24-22-12-9-17-5-3-4-6-21(17)22/h3-8,10-11,20,22H,9,12-16H2,1-2H3,(H,24,27)
• InChIKey: OHKPOONLCITQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-1-yl)-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(2,3-dihydro-1H-inden-1-yl)-4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.120141
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8986237
• LogD (pH = 7.4): 1.8986253
• Log P: 1.8986253
• Molar Refractivity: 120.5811 cm^3
• Polarizability: 47.22921 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.41
• LOG S: -6.73
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4