2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

C20H15F2N3O2S — CID 2910548

IUPAC2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)CC1c1ccccc1F
InChIInChI=1S/C20H15F2N3O2S/c21-12-5-7-13(8-6-12)24-19(27)11-28-20-16(10-23)15(9-18(26)25-20)14-3-1-2-4-17(14)22/h1-8,15H,9,11H2,(H,24,27)(H,25,26)
InChIKeyBHMFEPAULGCGTA-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.68
Rot. Bonds5

About 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide

2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 2910548) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID2910548
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC Name2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)CC1c1ccccc1F
InChIInChI=1S/C20H15F2N3O2S/c21-12-5-7-13(8-6-12)24-19(27)11-28-20-16(10-23)15(9-18(26)25-20)14-3-1-2-4-17(14)22/h1-8,15H,9,11H2,(H,24,27)(H,25,26)
InChIKeyBHMFEPAULGCGTA-UHFFFAOYSA-N
XLogP3.68
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-7,7-dimethyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-2-yl)sulfanyl-N-phenylacetamide
CID 657980
2-[(9-tert-butyl-1,5-dicyano-4-oxo-3-azaspiro[5.5]undec-1-en-2-yl)sulfanyl]-N-phenylacetamide
CID 661305
(Z)-2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamide
CID 5842484
(E)-2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-(o-tolyl)thiazolidin-2-ylidene)acetamide
CID 16682438
S-[7-oxo-7-(3-phenylanilino)heptyl] 2-methylpropanethioate
CID 11165005
(E)-2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide
CID 16426570
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 661054
2-(2-amino-2-oxoethyl)sulfanyl-1-cyano-4-methyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
CID 1069450
N-(2-benzoylphenyl)-2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
CID 2942154
5-amino-6-cyano-7-(4-methylphenyl)-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
CID 2998145
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
CID 3768789
N-(2,4-Difluorophenyl)-2,2-diphenylacetamide
CID 597523

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (CID 2910548) is 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)CC1c1ccccc1F.
What is the InChIKey of 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is BHMFEPAULGCGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c21-12-5-7-13(8-6-12)24-19(27)11-28-20-16(10-23)15(9-18(26)25-20)14-3-1-2-4-17(14)22/h1-8,15H,9,11H2,(H,24,27)(H,25,26).
What are the key properties of 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 399.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2910548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).