5-[2-fluoro-6-(propan-2-yloxy)phenyl]thiophene-2-carboxamide

• ChemBase ID: 489807
• Molecular Formular: C14H14FNO2S
• Molecular Mass: 279.3298632
• Monoisotopic Mass: 279.07292791
• SMILES: c1(sc(C(=O)N)cc1)c1c(OC(C)C)cccc1F
• Canonical SMILES: CC(Oc1cccc(c1c1ccc(s1)C(=O)N)F)C
• InChI: InChI=1S/C14H14FNO2S/c1-8(2)18-10-5-3-4-9(15)13(10)11-6-7-12(19-11)14(16)17/h3-8H,1-2H3,(H2,16,17)
• InChIKey: WISWSUGCZPVXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-fluoro-6-(propan-2-yloxy)phenyl]thiophene-2-carboxamide
• IUPAC Traditional name: 5-(2-fluoro-6-isopropoxyphenyl)thiophene-2-carboxamide
• Synonyms: 5-(2-fluoro-6-isopropoxyphenyl)thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.687336
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1391125
• LogD (pH = 7.4): 3.1391127
• Log P: 3.1391125
• Molar Refractivity: 72.7936 cm^3
• Polarizability: 28.660273 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.53
• LOG S: -4.25
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4