2-amino-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide

• ChemBase ID: 26657
• Molecular Formular: C15H18N2O2S
• Molecular Mass: 290.38062
• Monoisotopic Mass: 290.10889883
• SMILES: c1(c(sc(c1CC)C)N)C(=O)Nc1c(OC)cccc1
• Canonical SMILES: CCc1c(C)sc(c1C(=O)Nc1ccccc1OC)N
• InChI: InChI=1S/C15H18N2O2S/c1-4-10-9(2)20-14(16)13(10)15(18)17-11-7-5-6-8-12(11)19-3/h5-8H,4,16H2,1-3H3,(H,17,18)
• InChIKey: RCVLKVKYGLICTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
• IUPAC Traditional name: 2-amino-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide
• Synonyms: 2-Amino-4-ethyl-N-(2-methoxyphenyl)-5-methylthiophene-3-carboxamide

Database IDs

• MDL Number: MFCD03075105
• PubChem SID: 160989964
• PubChem CID: 3610551

CALCULATED PROPERTIES

• Acid pKa: 11.009381
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.278818
• LogD (pH = 7.4): 4.278721
• Log P: 4.2788224
• Molar Refractivity: 83.7193 cm^3
• Polarizability: 30.624096 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false