1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one

C17H19NO5S — CID 167849118

IUPAC1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one
SMILESCOc1ccc(C(C)=O)cc1CS(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C17H19NO5S/c1-13(19)14-6-7-16(23-2)15(11-14)12-24(21,22)10-9-18-8-4-3-5-17(18)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIXFWWEGYEAXNCH-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.67
Rot. Bonds7

About 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one

1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one (PubChem CID 167849118) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one
PubChem CID167849118
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one
SMILESCOc1ccc(C(C)=O)cc1CS(=O)(=O)CCn1ccccc1=O
InChIInChI=1S/C17H19NO5S/c1-13(19)14-6-7-16(23-2)15(11-14)12-24(21,22)10-9-18-8-4-3-5-17(18)20/h3-8,11H,9-10,12H2,1-2H3
InChIKeyIXFWWEGYEAXNCH-UHFFFAOYSA-N
XLogP1.67
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-3-(3-methoxypropylsulfonylmethyl)phenyl]ethanone
CID 60776413
ethyl 2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]acetate
CID 60730472
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-bromopyridin-2-one
CID 114760634
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[(5-acetyl-2-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80580041
1-[2-(4-amino-2-methoxyphenyl)sulfonylethyl]pyridin-2-one
CID 82899915
(2,5-dimethoxyphenyl)methyl 3-(2-oxo-1-pyridinyl)propanoate
CID 86979532
1-[(5-acetyl-2-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179153
1-[4-methoxy-3-(piperazin-1-ylmethyl)phenyl]ethanone
CID 43237144
1-[4-methoxy-3-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]ethanone
CID 9257709

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one (CID 167849118) is 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one is COc1ccc(C(C)=O)cc1CS(=O)(=O)CCn1ccccc1=O.
What is the InChIKey of 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one?
The InChIKey is IXFWWEGYEAXNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-13(19)14-6-7-16(23-2)15(11-14)12-24(21,22)10-9-18-8-4-3-5-17(18)20/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one?
1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one has a molecular weight of 349.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]ethyl]pyridin-2-one is sourced from PubChem (CID 167849118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).