N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide

• ChemBase ID: 675843
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: C(=O)(C(=O)N(Cc1cn(nc1)C)CCOC)c1sccc1
• Canonical SMILES: COCCN(C(=O)C(=O)c1cccs1)Cc1cnn(c1)C
• InChI: InChI=1S/C14H17N3O3S/c1-16-9-11(8-15-16)10-17(5-6-20-2)14(19)13(18)12-4-3-7-21-12/h3-4,7-9H,5-6,10H2,1-2H3
• InChIKey: OMGZJHCZQBBTBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-2-(thiophen-2-yl)acetamide
• Synonyms: N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-2-(2-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1490557
• LogD (pH = 7.4): 1.149135
• Log P: 1.1491361
• Molar Refractivity: 91.3207 cm^3
• Polarizability: 30.236902 Å^3
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.1
• LOG S: -2.84
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 7