N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(thiophen-2-ylmethyl)benzamide

• ChemBase ID: 785983
• Molecular Formular: C20H26N2O2S
• Molecular Mass: 358.49764
• Monoisotopic Mass: 358.17149908
• SMILES: C(=O)(N(Cc1sccc1)CCOC)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(c1)C1CCCNC1)Cc1cccs1
• InChI: InChI=1S/C20H26N2O2S/c1-24-11-10-22(15-19-8-4-12-25-19)20(23)17-6-2-5-16(13-17)18-7-3-9-21-14-18/h2,4-6,8,12-13,18,21H,3,7,9-11,14-15H2,1H3
• InChIKey: GRZFWNKNRJOZNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-(piperidin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-3-piperidin-3-yl-N-(2-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17140369
• LogD (pH = 7.4): 0.5722595
• Log P: 3.0446358
• Molar Refractivity: 102.8198 cm^3
• Polarizability: 39.386154 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.24
• LOG S: -3.73
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7