N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide

C21H14F4N2O2S — CID 91937284

IUPACN-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H14F4N2O2S/c22-14-6-8-15(9-7-14)27-20(29)13-5-10-19(26-11-13)30-12-18(28)16-3-1-2-4-17(16)21(23,24)25/h1-11H,12H2,(H,27,29)
InChIKeyGOLCQCCJGLLXCP-UHFFFAOYSA-N
MW434.41 g/mol
LogP5.47
Rot. Bonds6

About N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide (PubChem CID 91937284) has the molecular formula C21H14F4N2O2S and a molecular weight of 434.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide
PubChem CID91937284
Molecular FormulaC21H14F4N2O2S
Molecular Weight434.41 g/mol
Exact Mass434.07
IUPAC NameN-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C21H14F4N2O2S/c22-14-6-8-15(9-7-14)27-20(29)13-5-10-19(26-11-13)30-12-18(28)16-3-1-2-4-17(16)21(23,24)25/h1-11H,12H2,(H,27,29)
InChIKeyGOLCQCCJGLLXCP-UHFFFAOYSA-N
XLogP5.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide (CID 91937284) is N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is GOLCQCCJGLLXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O2S/c22-14-6-8-15(9-7-14)27-20(29)13-5-10-19(26-11-13)30-12-18(28)16-3-1-2-4-17(16)21(23,24)25/h1-11H,12H2,(H,27,29).
What are the key properties of N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 434.41 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91937284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).