N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)oxane-2-carboxamide

• ChemBase ID: 612388
• Molecular Formular: C14H21NO3S
• Molecular Mass: 283.38644
• Monoisotopic Mass: 283.12421454
• SMILES: C(=O)(N(Cc1cscc1)CCOC)C1OCCCC1
• Canonical SMILES: COCCN(C(=O)C1CCCCO1)Cc1cscc1
• InChI: InChI=1S/C14H21NO3S/c1-17-8-6-15(10-12-5-9-19-11-12)14(16)13-4-2-3-7-18-13/h5,9,11,13H,2-4,6-8,10H2,1H3
• InChIKey: QXTFSIAFNXKJAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)oxane-2-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)oxane-2-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(3-thienylmethyl)tetrahydro-2H-pyran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.962748
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7632042
• LogD (pH = 7.4): 1.7632042
• Log P: 1.7632042
• Molar Refractivity: 75.3619 cm^3
• Polarizability: 29.288866 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.32
• LOG S: -2.39
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 6