[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

C18H22N2O7S — CID 2485096

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C18H22N2O7S/c1-13-4-5-14(28(24,25)19-7-9-26-10-8-19)11-15(13)18(23)27-12-17(22)20-6-2-3-16(20)21/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyWCJXRPLVUQNDJU-UHFFFAOYSA-N
MW410.45 g/mol
LogP0.32
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2485096) has the molecular formula C18H22N2O7S and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2485096
Molecular FormulaC18H22N2O7S
Molecular Weight410.45 g/mol
Exact Mass410.11
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C18H22N2O7S/c1-13-4-5-14(28(24,25)19-7-9-26-10-8-19)11-15(13)18(23)27-12-17(22)20-6-2-3-16(20)21/h4-5,11H,2-3,6-10,12H2,1H3
InChIKeyWCJXRPLVUQNDJU-UHFFFAOYSA-N
XLogP0.32
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate (CID 2485096) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is WCJXRPLVUQNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7S/c1-13-4-5-14(28(24,25)19-7-9-26-10-8-19)11-15(13)18(23)27-12-17(22)20-6-2-3-16(20)21/h4-5,11H,2-3,6-10,12H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 410.45 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2485096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).