(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

C16H22N2O5S — CID 7234641

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2)cc1C
InChIInChI=1S/C16H22N2O5S/c1-12-5-6-14(9-13(12)2)24(21,22)17-10-16(20)23-11-15(19)18-7-3-4-8-18/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyZJTKOYWJADXLGX-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.75
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (PubChem CID 7234641) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
PubChem CID7234641
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2)cc1C
InChIInChI=1S/C16H22N2O5S/c1-12-5-6-14(9-13(12)2)24(21,22)17-10-16(20)23-11-15(19)18-7-3-4-8-18/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyZJTKOYWJADXLGX-UHFFFAOYSA-N
XLogP0.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate 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-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate (CID 7234641) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC2)cc1C.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
The InChIKey is ZJTKOYWJADXLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-12-5-6-14(9-13(12)2)24(21,22)17-10-16(20)23-11-15(19)18-7-3-4-8-18/h5-6,9,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate has a molecular weight of 354.43 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-[(3,4-dimethylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 7234641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).