2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate

C15H10F3N2O4S- — CID 2371854

IUPAC2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
SMILESO=C(CSc1ncccc1C(=O)[O-])Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-5-3-9(4-6-10)20-12(21)8-25-13-11(14(22)23)2-1-7-19-13/h1-7H,8H2,(H,20,21)(H,22,23)/p-1
InChIKeyBYLOSMYJSGARSI-UHFFFAOYSA-M
MW371.32 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate

2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate (PubChem CID 2371854) has the molecular formula C15H10F3N2O4S- and a molecular weight of 371.32 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
PubChem CID2371854
Molecular FormulaC15H10F3N2O4S-
Molecular Weight371.32 g/mol
Exact Mass371.03
IUPAC Name2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
SMILESO=C(CSc1ncccc1C(=O)[O-])Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-5-3-9(4-6-10)20-12(21)8-25-13-11(14(22)23)2-1-7-19-13/h1-7H,8H2,(H,20,21)(H,22,23)/p-1
InChIKeyBYLOSMYJSGARSI-UHFFFAOYSA-M
XLogP2.07
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

potassium 2-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 72703945
2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 4249570
potassium 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 72703544
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
N-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17024194
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
2-[(2-bromo-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10458018
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 6951970
2-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 62060327
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
N-[5-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 44956878

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The IUPAC name of 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate (CID 2371854) is 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate.
What is the SMILES notation for 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The canonical SMILES for 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate is O=C(CSc1ncccc1C(=O)[O-])Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
The InChIKey is BYLOSMYJSGARSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11F3N2O4S/c16-15(17,18)24-10-5-3-9(4-6-10)20-12(21)8-25-13-11(14(22)23)2-1-7-19-13/h1-7H,8H2,(H,20,21)(H,22,23)/p-1.
What are the key properties of 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate?
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate has a molecular weight of 371.32 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 2371854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).