5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(thiophen-2-ylmethyl)benzamide

• ChemBase ID: 517121
• Molecular Formular: C23H29ClN2O2S
• Molecular Mass: 433.00656
• Monoisotopic Mass: 432.16382686
• SMILES: c1(C(=O)N(Cc2sccc2)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)Cl
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N(Cc1cccs1)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H29ClN2O2S/c1-25(16-20-7-4-14-29-20)23(27)21-15-17(24)8-9-22(21)28-19-10-12-26(13-11-19)18-5-2-3-6-18/h4,7-9,14-15,18-19H,2-3,5-6,10-13,16H2,1H3
• InChIKey: CLJRIUTVDNBXLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
• IUPAC Traditional name: 5-chloro-2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
• Synonyms: 5-chloro-2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-methyl-N-(2-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3702469
• LogD (pH = 7.4): 2.7084484
• Log P: 4.736474
• Molar Refractivity: 119.5646 cm^3
• Polarizability: 46.116833 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.69
• LOG S: -5.38
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6