5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide

C13H9F5N2O2S — CID 146323119

IUPAC5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(C(F)F)s1
InChIInChI=1S/C13H9F5N2O2S/c14-1-2-20-5-6(3-8(16)13(20)22)19-12(21)9-4-7(15)10(23-9)11(17)18/h3-5,11H,1-2H2,(H,19,21)
InChIKeyZFGNCLRSTDZXKM-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.35
Rot. Bonds5

About 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide

5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 146323119) has the molecular formula C13H9F5N2O2S and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
PubChem CID146323119
Molecular FormulaC13H9F5N2O2S
Molecular Weight352.28 g/mol
Exact Mass352.03
IUPAC Name5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(C(F)F)s1
InChIInChI=1S/C13H9F5N2O2S/c14-1-2-20-5-6(3-8(16)13(20)22)19-12(21)9-4-7(15)10(23-9)11(17)18/h3-5,11H,1-2H2,(H,19,21)
InChIKeyZFGNCLRSTDZXKM-UHFFFAOYSA-N
XLogP3.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 45840376
N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491575
N-ethyl-5-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 53560979
N-[(5-acetylthiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 20449092
N-(2-fluoroprop-2-enyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67327050
N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 69184925
N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
N-[1-(dimethylamino)propan-2-yl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 87353265
3-fluoro-5-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 117916736
3-fluoro-5-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 117916749

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide (CID 146323119) is 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CCF)c1)c1cc(F)c(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is ZFGNCLRSTDZXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O2S/c14-1-2-20-5-6(3-8(16)13(20)22)19-12(21)9-4-7(15)10(23-9)11(17)18/h3-5,11H,1-2H2,(H,19,21).
What are the key properties of 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide?
5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 352.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-fluoro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 146323119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).