N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(pyridin-3-yl)acetamide

• ChemBase ID: 819695
• Molecular Formular: C14H16N2O2S
• Molecular Mass: 276.35404
• Monoisotopic Mass: 276.09324876
• SMILES: c1(sccc1)C(CNC(=O)Cc1cnccc1)OC
• Canonical SMILES: COC(c1cccs1)CNC(=O)Cc1cccnc1
• InChI: InChI=1S/C14H16N2O2S/c1-18-12(13-5-3-7-19-13)10-16-14(17)8-11-4-2-6-15-9-11/h2-7,9,12H,8,10H2,1H3,(H,16,17)
• InChIKey: OTDHWLZTSAMLQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2-(pyridin-3-yl)acetamide
• Synonyms: N-[2-methoxy-2-(2-thienyl)ethyl]-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.072684
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3791586
• LogD (pH = 7.4): 1.4590542
• Log P: 1.4602011
• Molar Refractivity: 74.1438 cm^3
• Polarizability: 28.791906 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.98
• LOG S: -0.75
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6