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

• ChemBase ID: 862237
• Molecular Formular: C20H25NO2S
• Molecular Mass: 343.483
• Monoisotopic Mass: 343.16060005
• SMILES: N(C(=O)C)(Cc1cc(OCCc2sccc2)ccc1)C1CCCC1
• Canonical SMILES: CC(=O)N(C1CCCC1)Cc1cccc(c1)OCCc1cccs1
• InChI: InChI=1S/C20H25NO2S/c1-16(22)21(18-7-2-3-8-18)15-17-6-4-9-19(14-17)23-12-11-20-10-5-13-24-20/h4-6,9-10,13-14,18H,2-3,7-8,11-12,15H2,1H3
• InChIKey: CUWYAXARWIUQIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.264583
• LogD (pH = 7.4): 4.264583
• Log P: 4.264583
• Molar Refractivity: 98.1162 cm^3
• Polarizability: 38.057606 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.1
• LOG S: -4.54
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7