2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide

C14H13FN2O2S — CID 135075151

IUPAC2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide
SMILESCS(=O)(=NC(=O)Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H13FN2O2S/c1-20(19,14-4-2-3-9-16-14)17-13(18)10-11-5-7-12(15)8-6-11/h2-9H,10H2,1H3
InChIKeyCEWPOOMONHEZHJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide

2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide (PubChem CID 135075151) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide
PubChem CID135075151
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide
SMILESCS(=O)(=NC(=O)Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C14H13FN2O2S/c1-20(19,14-4-2-3-9-16-14)17-13(18)10-11-5-7-12(15)8-6-11/h2-9H,10H2,1H3
InChIKeyCEWPOOMONHEZHJ-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide (CID 135075151) is 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide is CS(=O)(=NC(=O)Cc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide?
The InChIKey is CEWPOOMONHEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-20(19,14-4-2-3-9-16-14)17-13(18)10-11-5-7-12(15)8-6-11/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide?
2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)acetamide is sourced from PubChem (CID 135075151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).