5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one

C20H16ClNO2S — CID 132918687

IUPAC5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one
SMILESCCSc1cc(=O)n(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16ClNO2S/c1-2-25-18-12-19(23)22(16-10-8-15(21)9-11-16)13-17(18)20(24)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyZWJPBEBIONNHBY-UHFFFAOYSA-N
MW369.87 g/mol
LogP4.83
Rot. Bonds5

About 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one

5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one (PubChem CID 132918687) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one.

Molecular Properties

Compound Name5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one
PubChem CID132918687
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one
SMILESCCSc1cc(=O)n(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C20H16ClNO2S/c1-2-25-18-12-19(23)22(16-10-8-15(21)9-11-16)13-17(18)20(24)14-6-4-3-5-7-14/h3-13H,2H2,1H3
InChIKeyZWJPBEBIONNHBY-UHFFFAOYSA-N
XLogP4.83
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
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[3-benzoyl-6-(4-chlorophenyl)-2-ethylsulfanyl-4-hydroxyphenyl]-phenylmethanone
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4-(4-chlorobenzoyl)-1-ethylquinolin-2-one
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[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
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(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-5-chloro-2-ethylsulfanylbenzamide
CID 97006273

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one?
The IUPAC name of 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one (CID 132918687) is 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one.
What is the SMILES notation for 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one?
The canonical SMILES for 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one is CCSc1cc(=O)n(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1.
What is the InChIKey of 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one?
The InChIKey is ZWJPBEBIONNHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c1-2-25-18-12-19(23)22(16-10-8-15(21)9-11-16)13-17(18)20(24)14-6-4-3-5-7-14/h3-13H,2H2,1H3.
What are the key properties of 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one?
5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one has a molecular weight of 369.87 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-(4-chlorophenyl)-4-ethylsulfanylpyridin-2-one is sourced from PubChem (CID 132918687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).