N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide

• ChemBase ID: 532544
• Molecular Formular: C19H25NO3S
• Molecular Mass: 347.4717
• Monoisotopic Mass: 347.15551467
• SMILES: c1(C(=O)N(CCOc2c(OCC)cccc2)C)c(c(sc1)C)CC
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)c1csc(c1CC)C)C
• InChI: InChI=1S/C19H25NO3S/c1-5-15-14(3)24-13-16(15)19(21)20(4)11-12-23-18-10-8-7-9-17(18)22-6-2/h7-10,13H,5-6,11-12H2,1-4H3
• InChIKey: KRANLVHIGGZPNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide
• IUPAC Traditional name: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide
• Synonyms: N-[2-(2-ethoxyphenoxy)ethyl]-4-ethyl-N,5-dimethylthiophene-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.4987173
• LogD (pH = 7.4): 4.4987173
• Log P: 4.4987173
• Molar Refractivity: 98.4981 cm^3
• Polarizability: 37.344414 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.39
• LOG S: -5.48
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8