6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one

C17H21NOS — CID 82520594

IUPAC6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
SMILESCCCn1c(-c2ccc(CC)cc2)ccc(CS)c1=O
InChIInChI=1S/C17H21NOS/c1-3-11-18-16(10-9-15(12-20)17(18)19)14-7-5-13(4-2)6-8-14/h5-10,20H,3-4,11-12H2,1-2H3
InChIKeyRUWBSCSRZQYMTE-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.92
Rot. Bonds5

About 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one

6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one (PubChem CID 82520594) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
PubChem CID82520594
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
SMILESCCCn1c(-c2ccc(CC)cc2)ccc(CS)c1=O
InChIInChI=1S/C17H21NOS/c1-3-11-18-16(10-9-15(12-20)17(18)19)14-7-5-13(4-2)6-8-14/h5-10,20H,3-4,11-12H2,1-2H3
InChIKeyRUWBSCSRZQYMTE-UHFFFAOYSA-N
XLogP3.92
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520637
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
6-(4-ethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 82520500
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one?
The IUPAC name of 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one (CID 82520594) is 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one.
What is the SMILES notation for 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one?
The canonical SMILES for 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one is CCCn1c(-c2ccc(CC)cc2)ccc(CS)c1=O.
What is the InChIKey of 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one?
The InChIKey is RUWBSCSRZQYMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-3-11-18-16(10-9-15(12-20)17(18)19)14-7-5-13(4-2)6-8-14/h5-10,20H,3-4,11-12H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one?
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one has a molecular weight of 287.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one is sourced from PubChem (CID 82520594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).