N-cyclohexyl-N-[2-(ethylsulfanyl)ethyl]-2-(oxan-4-yl)acetamide

• ChemBase ID: 754126
• Molecular Formular: C17H31NO2S
• Molecular Mass: 313.49854
• Monoisotopic Mass: 313.20755024
• SMILES: C(=O)(N(C1CCCCC1)CCSCC)CC1CCOCC1
• Canonical SMILES: CCSCCN(C(=O)CC1CCOCC1)C1CCCCC1
• InChI: InChI=1S/C17H31NO2S/c1-2-21-13-10-18(16-6-4-3-5-7-16)17(19)14-15-8-11-20-12-9-15/h15-16H,2-14H2,1H3
• InChIKey: IXVNANOJIBHIAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-[2-(ethylsulfanyl)ethyl]-2-(oxan-4-yl)acetamide
• IUPAC Traditional name: N-cyclohexyl-N-[2-(ethylsulfanyl)ethyl]-2-(oxan-4-yl)acetamide
• Synonyms: N-cyclohexyl-N-[2-(ethylthio)ethyl]-2-(tetrahydro-2H-pyran-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8713386
• LogD (pH = 7.4): 2.8713408
• Log P: 2.8713408
• Molar Refractivity: 90.523 cm^3
• Polarizability: 35.54334 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: 3.19
• LOG S: -4.21
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7