3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

C15H11F6N3O3S2 — CID 90258825

IUPAC3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyJIJMRCKKPQPQCT-UHFFFAOYSA-N
MW459.39 g/mol
LogP3.78
Rot. Bonds5

About 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 90258825) has the molecular formula C15H11F6N3O3S2 and a molecular weight of 459.39 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID90258825
Molecular FormulaC15H11F6N3O3S2
Molecular Weight459.39 g/mol
Exact Mass459.01
IUPAC Name3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26)
InChIKeyJIJMRCKKPQPQCT-UHFFFAOYSA-N
XLogP3.78
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 90258825) is 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCSc1cc(C(F)(F)F)cnc1C(=O)Nc1cc(S(=O)C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JIJMRCKKPQPQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O3S2/c1-2-28-10-3-7(14(16,17)18)5-22-11(10)13(26)24-9-4-8(6-23-12(9)25)29(27)15(19,20)21/h3-6H,2H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 459.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[2-oxo-5-(trifluoromethylsulfinyl)-1H-pyridin-3-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 90258825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).