2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide

C16H15F3N2O2S — CID 7644816

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCSc1ccccc1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)12-6-7-15(23)21(10-12)11-14(22)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyHJDFSKXXFOGDEP-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.78
Rot. Bonds6

About 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 7644816) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID7644816
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCSc1ccccc1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)12-6-7-15(23)21(10-12)11-14(22)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22)
InChIKeyHJDFSKXXFOGDEP-UHFFFAOYSA-N
XLogP2.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide (CID 7644816) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCSc1ccccc1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is HJDFSKXXFOGDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)12-6-7-15(23)21(10-12)11-14(22)20-8-9-24-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,22).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 356.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 7644816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).