N-[2-methoxy-1-(pyridin-2-yl)ethyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide

• ChemBase ID: 853451
• Molecular Formular: C16H20N2O3S
• Molecular Mass: 320.4066
• Monoisotopic Mass: 320.11946351
• SMILES: C(=O)(c1sc(cc1)COC)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1ccc(s1)COC)C)c1ccccn1
• InChI: InChI=1S/C16H20N2O3S/c1-18(14(11-21-3)13-6-4-5-9-17-13)16(19)15-8-7-12(22-15)10-20-2/h4-9,14H,10-11H2,1-3H3
• InChIKey: LFDCXYIGHWJXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide
• IUPAC Traditional name: N-[2-methoxy-1-(pyridin-2-yl)ethyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide
• Synonyms: 5-(methoxymethyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylthiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9332436
• LogD (pH = 7.4): 1.9454314
• Log P: 1.9455892
• Molar Refractivity: 85.8932 cm^3
• Polarizability: 32.984493 Å^3
• Polar Surface Area: 51.66 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: 0.9
• LOG S: -1.0
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7