N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,5-dimethoxybenzene-1-sulfonamide

• ChemBase ID: 481607
• Molecular Formular: C23H29NO5S
• Molecular Mass: 431.54506
• Monoisotopic Mass: 431.17664403
• SMILES: S(=O)(=O)(c1cc(ccc1OC)OC)N(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: COc1ccc(cc1S(=O)(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1)OC
• InChI: InChI=1S/C23H29NO5S/c1-27-21-12-13-22(28-2)23(14-21)30(25,26)24(19-8-9-19)15-17-6-10-20(11-7-17)29-16-18-4-3-5-18/h6-7,10-14,18-19H,3-5,8-9,15-16H2,1-2H3
• InChIKey: LPGAJTKFRXEBOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,5-dimethoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-2,5-dimethoxybenzenesulfonamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-2,5-dimethoxybenzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.9687984
• LogD (pH = 7.4): 3.9687984
• Log P: 3.9687984
• Molar Refractivity: 115.7657 cm^3
• Polarizability: 46.03023 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.64
• LOG S: -3.79
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 7