2-cyclopentyl-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 363391
• Molecular Formular: C27H32N2O3S
• Molecular Mass: 464.61958
• Monoisotopic Mass: 464.21336389
• SMILES: C(=O)(N(Cc1cc(c(cc1)OCCc1sccc1)OC)Cc1ncccc1)CC1CCCC1
• Canonical SMILES: COc1cc(ccc1OCCc1cccs1)CN(C(=O)CC1CCCC1)Cc1ccccn1
• InChI: InChI=1S/C27H32N2O3S/c1-31-26-17-22(11-12-25(26)32-15-13-24-10-6-16-33-24)19-29(20-23-9-4-5-14-28-23)27(30)18-21-7-2-3-8-21/h4-6,9-12,14,16-17,21H,2-3,7-8,13,15,18-20H2,1H3
• InChIKey: BTESZQCIXBHRFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-cyclopentyl-N-({3-methoxy-4-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: 2-cyclopentyl-N-{3-methoxy-4-[2-(2-thienyl)ethoxy]benzyl}-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.180345
• LogD (pH = 7.4): 5.19779
• Log P: 5.1980176
• Molar Refractivity: 131.276 cm^3
• Polarizability: 51.11231 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.52
• LOG S: -6.64
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 10