N-cyclobutyl-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 678851
• Molecular Formular: C18H27N3O4S
• Molecular Mass: 381.48968
• Monoisotopic Mass: 381.17222736
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2CCC2)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCC1)C
• InChI: InChI=1S/C18H27N3O4S/c1-20(2)26(23,24)21-12-10-17(11-13-21)25-16-8-6-14(7-9-16)18(22)19-15-4-3-5-15/h6-9,15,17H,3-5,10-13H2,1-2H3,(H,19,22)
• InChIKey: FCDLRLVVOWUHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclobutyl-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclobutyl-4-({1-[(dimethylamino)sulfonyl]piperidin-4-yl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.156943
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5400595
• LogD (pH = 7.4): 0.5400611
• Log P: 0.5400611
• Molar Refractivity: 100.1999 cm^3
• Polarizability: 39.51212 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: 4
• H Donor: 1
• Log P: 0.57
• LOG S: -2.47
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4