1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C16H18N2O4S2 — CID 16617153

IUPAC1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)s1
InChIInChI=1S/C16H18N2O4S2/c1-12-4-6-15(23-12)14(19)11-17-10-13(5-7-16(17)20)24(21,22)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyJSMPJMIIODEWHX-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 16617153) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID16617153
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)s1
InChIInChI=1S/C16H18N2O4S2/c1-12-4-6-15(23-12)14(19)11-17-10-13(5-7-16(17)20)24(21,22)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyJSMPJMIIODEWHX-UHFFFAOYSA-N
XLogP1.89
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 30343739
1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 4852960
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
1-[2-[4-(2,6-dimethylphenyl)phenyl]-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508180
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
1-[2-(4-butan-2-ylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 24622588
1-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 122508148
N-butan-2-yl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170604
1-[2-(2-fluoro-4-phenylphenyl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 146402867
3-amino-2-[2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetyl]but-2-enenitrile
CID 4844918
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 16617153) is 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is Cc1ccc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)s1.
What is the InChIKey of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is JSMPJMIIODEWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-4-6-15(23-12)14(19)11-17-10-13(5-7-16(17)20)24(21,22)18-8-2-3-9-18/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 366.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 16617153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).