[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate

C16H19NO6S — CID 7168601

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H19NO6S/c1-12-4-6-13(7-5-12)24(21,22)10-8-16(20)23-11-15(19)17-9-2-3-14(17)18/h4-7H,2-3,8-11H2,1H3
InChIKeyIDMMXCHNLLURRT-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.85
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate (PubChem CID 7168601) has the molecular formula C16H19NO6S and a molecular weight of 353.40 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
PubChem CID7168601
Molecular FormulaC16H19NO6S
Molecular Weight353.40 g/mol
Exact Mass353.09
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate
SMILESCc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H19NO6S/c1-12-4-6-13(7-5-12)24(21,22)10-8-16(20)23-11-15(19)17-9-2-3-14(17)18/h4-7H,2-3,8-11H2,1H3
InChIKeyIDMMXCHNLLURRT-UHFFFAOYSA-N
XLogP0.85
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate (CID 7168601) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate is Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate?
The InChIKey is IDMMXCHNLLURRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6S/c1-12-4-6-13(7-5-12)24(21,22)10-8-16(20)23-11-15(19)17-9-2-3-14(17)18/h4-7H,2-3,8-11H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate has a molecular weight of 353.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-methylphenyl)sulfonylpropanoate is sourced from PubChem (CID 7168601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).