N-cyclopentyl-2,5-dimethoxy-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}benzene-1-sulfonamide

• ChemBase ID: 633053
• Molecular Formular: C24H33NO6S
• Molecular Mass: 463.58692
• Monoisotopic Mass: 463.20285878
• SMILES: S(=O)(=O)(c1cc(ccc1OC)OC)N(Cc1cc(OC(C)C)c(cc1)OC)C1CCCC1
• Canonical SMILES: COc1ccc(c(c1)S(=O)(=O)N(C1CCCC1)Cc1ccc(c(c1)OC(C)C)OC)OC
• InChI: InChI=1S/C24H33NO6S/c1-17(2)31-23-14-18(10-12-21(23)29-4)16-25(19-8-6-7-9-19)32(26,27)24-15-20(28-3)11-13-22(24)30-5/h10-15,17,19H,6-9,16H2,1-5H3
• InChIKey: KZPZROSEBJTTBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2,5-dimethoxy-N-{[4-methoxy-3-(propan-2-yloxy)phenyl]methyl}benzene-1-sulfonamide
• IUPAC Traditional name: N-cyclopentyl-N-[(3-isopropoxy-4-methoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
• Synonyms: N-cyclopentyl-N-(3-isopropoxy-4-methoxybenzyl)-2,5-dimethoxybenzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.248502
• LogD (pH = 7.4): 4.248502
• Log P: 4.248502
• Molar Refractivity: 124.0553 cm^3
• Polarizability: 49.284985 Å^3
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 4.8
• LOG S: -3.48
• Polar Surface Area: 74.3 Å^2
• Rotatable Bonds: 5