N-benzyl-4-{[1-(dimethylsulfamoyl)piperidin-4-yl]oxy}-N-methylbenzamide

• ChemBase ID: 499001
• Molecular Formular: C22H29N3O4S
• Molecular Mass: 431.54836
• Monoisotopic Mass: 431.18787742
• SMILES: S(=O)(=O)(N1CCC(CC1)Oc1ccc(C(=O)N(Cc2ccccc2)C)cc1)N(C)C
• Canonical SMILES: CN(C(=O)c1ccc(cc1)OC1CCN(CC1)S(=O)(=O)N(C)C)Cc1ccccc1
• InChI: InChI=1S/C22H29N3O4S/c1-23(2)30(27,28)25-15-13-21(14-16-25)29-20-11-9-19(10-12-20)22(26)24(3)17-18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3
• InChIKey: IQYJERPYOCARFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5780756
• LogD (pH = 7.4): 1.5780771
• Log P: 1.5780771
• Molar Refractivity: 117.897 cm^3
• Polarizability: 46.117496 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.98
• LOG S: -5.37
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5