N-[1-(5-methoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide

• ChemBase ID: 689993
• Molecular Formular: C17H23N3O4S
• Molecular Mass: 365.44722
• Monoisotopic Mass: 365.14092723
• SMILES: c1(n(c2c(c1)cc(cc2)OC)C)C(=O)N1CCC(NS(=O)(=O)C)CC1
• Canonical SMILES: COc1ccc2c(c1)cc(n2C)C(=O)N1CCC(CC1)NS(=O)(=O)C
• InChI: InChI=1S/C17H23N3O4S/c1-19-15-5-4-14(24-2)10-12(15)11-16(19)17(21)20-8-6-13(7-9-20)18-25(3,22)23/h4-5,10-11,13,18H,6-9H2,1-3H3
• InChIKey: IZBULBQBLVKQHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(5-methoxy-1-methyl-1H-indole-2-carbonyl)piperidin-4-yl]methanesulfonamide
• IUPAC Traditional name: N-[1-(5-methoxy-1-methylindole-2-carbonyl)piperidin-4-yl]methanesulfonamide
• Synonyms: N-{1-[(5-methoxy-1-methyl-1H-indol-2-yl)carbonyl]-4-piperidinyl}methanesulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.524092
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.11893107
• LogD (pH = 7.4): -0.118959546
• Log P: -0.11893063
• Molar Refractivity: 95.6803 cm^3
• Polarizability: 38.295216 Å^3
• Polar Surface Area: 80.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.38
• LOG S: -2.85
• Polar Surface Area: 80.64 Å^2
• Rotatable Bonds: 3