3-chloro-N-cyclohexyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-methylbenzamide

• ChemBase ID: 851639
• Molecular Formular: C20H29ClN2O4S
• Molecular Mass: 428.97326
• Monoisotopic Mass: 428.1536561
• SMILES: S(=O)(=O)(N1CCC(Oc2c(cc(C(=O)N(C3CCCCC3)C)cc2)Cl)CC1)C
• Canonical SMILES: CN(C(=O)c1ccc(c(c1)Cl)OC1CCN(CC1)S(=O)(=O)C)C1CCCCC1
• InChI: InChI=1S/C20H29ClN2O4S/c1-22(16-6-4-3-5-7-16)20(24)15-8-9-19(18(21)14-15)27-17-10-12-23(13-11-17)28(2,25)26/h8-9,14,16-17H,3-7,10-13H2,1-2H3
• InChIKey: MVBCIIPWYDSVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-cyclohexyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-methylbenzamide
• IUPAC Traditional name: 3-chloro-N-cyclohexyl-4-[(1-methanesulfonylpiperidin-4-yl)oxy]-N-methylbenzamide
• Synonyms: 3-chloro-N-cyclohexyl-N-methyl-4-{[1-(methylsulfonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2656212
• LogD (pH = 7.4): 2.2656214
• Log P: 2.2656214
• Molar Refractivity: 110.5353 cm^3
• Polarizability: 43.580154 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.64
• LOG S: -4.65
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4