2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

C15H13F3N2O2S — CID 60566678

IUPAC2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C15H13F3N2O2S/c1-2-23-13-9-10(7-8-19-13)14(21)20-11-5-3-4-6-12(11)22-15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyBLZIHAYZBVGZNJ-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.34
Rot. Bonds5

About 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide

2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 60566678) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
PubChem CID60566678
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
SMILESCCSc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C15H13F3N2O2S/c1-2-23-13-9-10(7-8-19-13)14(21)20-11-5-3-4-6-12(11)22-15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyBLZIHAYZBVGZNJ-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46523131
1-ethyl-6-oxo-N-[2-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 121066991
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide (CID 60566678) is 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is CCSc1cc(C(=O)Nc2ccccc2OC(F)(F)F)ccn1.
What is the InChIKey of 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is BLZIHAYZBVGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-2-23-13-9-10(7-8-19-13)14(21)20-11-5-3-4-6-12(11)22-15(16,17)18/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide?
2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 342.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 60566678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).