N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-methoxybenzene-1-sulfonamide

• ChemBase ID: 846151
• Molecular Formular: C22H27NO4S
• Molecular Mass: 401.51908
• Monoisotopic Mass: 401.16607935
• SMILES: S(=O)(=O)(N(C1CC1)Cc1ccc(OCC2CCC2)cc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C22H27NO4S/c1-26-20-11-13-22(14-12-20)28(24,25)23(19-7-8-19)15-17-5-9-21(10-6-17)27-16-18-3-2-4-18/h5-6,9-14,18-19H,2-4,7-8,15-16H2,1H3
• InChIKey: FZMJMPJSUFKEDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-methoxybenzene-1-sulfonamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-methoxybenzenesulfonamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-4-methoxybenzenesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1264696
• LogD (pH = 7.4): 4.1264696
• Log P: 4.1264696
• Molar Refractivity: 109.3025 cm^3
• Polarizability: 43.50063 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.07
• LOG S: -4.01
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7