N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide

C13H7F7N2O2S — CID 146323270

IUPACN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(C(F)(F)F)c(F)s1
InChIInChI=1S/C13H7F7N2O2S/c14-7-1-5(3-22(12(7)24)4-9(15)16)21-11(23)8-2-6(10(17)25-8)13(18,19)20/h1-3,9H,4H2,(H,21,23)
InChIKeyLTVFGBOEHWXHQO-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide

N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 146323270) has the molecular formula C13H7F7N2O2S and a molecular weight of 388.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID146323270
Molecular FormulaC13H7F7N2O2S
Molecular Weight388.26 g/mol
Exact Mass388.01
IUPAC NameN-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(C(F)(F)F)c(F)s1
InChIInChI=1S/C13H7F7N2O2S/c14-7-1-5(3-22(12(7)24)4-9(15)16)21-11(23)8-2-6(10(17)25-8)13(18,19)20/h1-3,9H,4H2,(H,21,23)
InChIKeyLTVFGBOEHWXHQO-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxopyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 146309476
1-(Thiophene-2-carbonyl)-5-(trifluoromethyl)pyridin-2-one
CID 2320794
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
CID 71856501
4,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 72112646
2,5-dimethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]thiophene-3-carboxamide
CID 72124526
5-[(2,2,2-Trifluoroacetylamino)methyl]-thiophene-3-carboxylic acid methylamide
CID 10244631
CID 59369598
CID 59369598
5-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 70669454
N-(6-chloro-1,2-dihydropyridin-3-yl)-4,5-difluorothiophene-2-carboxamide
CID 71146342
N-(2,2-difluoroethyl)-4-methylthiophene-2-carboxamide
CID 88885958
2-fluoro-5-methyl-N-[2-(methylamino)ethyl]thiophene-3-carboxamide
CID 89833697
2-fluoro-5-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-3-carboxamide
CID 89833745

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide (CID 146323270) is N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)c1cc(C(F)(F)F)c(F)s1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is LTVFGBOEHWXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F7N2O2S/c14-7-1-5(3-22(12(7)24)4-9(15)16)21-11(23)8-2-6(10(17)25-8)13(18,19)20/h1-3,9H,4H2,(H,21,23).
What are the key properties of N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide?
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-5-fluoro-4-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146323270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).