N-[cyclohexyl(thiophen-2-yl)methyl]-2-(methylamino)acetamide

• ChemBase ID: 820278
• Molecular Formular: C14H22N2OS
• Molecular Mass: 266.40228
• Monoisotopic Mass: 266.14528433
• SMILES: c1(C(NC(=O)CNC)C2CCCCC2)sccc1
• Canonical SMILES: CNCC(=O)NC(c1cccs1)C1CCCCC1
• InChI: InChI=1S/C14H22N2OS/c1-15-10-13(17)16-14(12-8-5-9-18-12)11-6-3-2-4-7-11/h5,8-9,11,14-15H,2-4,6-7,10H2,1H3,(H,16,17)
• InChIKey: ANEWOQWNNHBEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclohexyl(thiophen-2-yl)methyl]-2-(methylamino)acetamide
• IUPAC Traditional name: N-[cyclohexyl(thiophen-2-yl)methyl]-2-(methylamino)acetamide
• Synonyms: N~1~-[cyclohexyl(2-thienyl)methyl]-N~2~-methylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.752793
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.45752484
• LogD (pH = 7.4): 1.0993605
• Log P: 2.5132432
• Molar Refractivity: 74.4146 cm^3
• Polarizability: 29.397615 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.17
• LOG S: -3.0
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5