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

• ChemBase ID: 729528
• Molecular Formular: C20H31N3O4S
• Molecular Mass: 409.54284
• Monoisotopic Mass: 409.20352749
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2CCCCC2)cc1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCCCC1)C
• InChI: InChI=1S/C20H31N3O4S/c1-22(2)28(25,26)23-14-12-19(13-15-23)27-18-10-8-16(9-11-18)20(24)21-17-6-4-3-5-7-17/h8-11,17,19H,3-7,12-15H2,1-2H3,(H,21,24)
• InChIKey: RSAOROHTBGXUDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.156943
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4291968
• LogD (pH = 7.4): 1.4291984
• Log P: 1.4291985
• Molar Refractivity: 109.4019 cm^3
• Polarizability: 43.181988 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: 6
• H Donor: 1
• Log P: 2.06
• LOG S: -5.75
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4