4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide

C12H9Cl2FN2O2S — CID 146323400

IUPAC4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)c(F)cc1=O
InChIInChI=1S/C12H9Cl2FN2O2S/c1-2-17-5-8(7(15)4-10(17)18)16-12(19)9-3-6(13)11(14)20-9/h3-5H,2H2,1H3,(H,16,19)
InChIKeyFFUBMSKXZGBVQR-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.63
Rot. Bonds3

About 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide

4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 146323400) has the molecular formula C12H9Cl2FN2O2S and a molecular weight of 335.19 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
PubChem CID146323400
Molecular FormulaC12H9Cl2FN2O2S
Molecular Weight335.19 g/mol
Exact Mass333.97
IUPAC Name4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)c(F)cc1=O
InChIInChI=1S/C12H9Cl2FN2O2S/c1-2-17-5-8(7(15)4-10(17)18)16-12(19)9-3-6(13)11(14)20-9/h3-5H,2H2,1H3,(H,16,19)
InChIKeyFFUBMSKXZGBVQR-UHFFFAOYSA-N
XLogP3.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
5-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-2-thiophenecarboxamide
CID 845133
5-chloro-N-ethylthiophene-2-carboxamide
CID 667834
4-(5-Chlorothiophene-2-carbonyl)-3-methylpiperazin-2-one
CID 44116482
4-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309466
4-chloro-N-[5-chloro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]-5-cyanothiophene-2-carboxamide
CID 146309489
3-chloro-N-[1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323152
4-chloro-N-[5-cyano-1-(2,2-difluoroethyl)-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323161
4,5-dichloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]thiophene-2-carboxamide
CID 146323174
3-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323175
4-chloro-N-[1-(2,2-difluoroethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146323177
5-chloro-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-4-[2-(1-methyl-6-oxopyridin-3-yl)ethynyl]thiophene-2-carboxamide
CID 146323183

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide (CID 146323400) is 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide is CCn1cc(NC(=O)c2cc(Cl)c(Cl)s2)c(F)cc1=O.
What is the InChIKey of 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is FFUBMSKXZGBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O2S/c1-2-17-5-8(7(15)4-10(17)18)16-12(19)9-3-6(13)11(14)20-9/h3-5H,2H2,1H3,(H,16,19).
What are the key properties of 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-ethyl-4-fluoro-6-oxo-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).