[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

C16H20N2O6S — CID 2497263

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H20N2O6S/c1-12-5-7-13(8-6-12)25(22,23)17(2)10-16(21)24-11-15(20)18-9-3-4-14(18)19/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNKJQHGXAAOAOPI-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.31
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (PubChem CID 2497263) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
PubChem CID2497263
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C16H20N2O6S/c1-12-5-7-13(8-6-12)25(22,23)17(2)10-16(21)24-11-15(20)18-9-3-4-14(18)19/h5-8H,3-4,9-11H2,1-2H3
InChIKeyNKJQHGXAAOAOPI-UHFFFAOYSA-N
XLogP0.31
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)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

Related Compounds

[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3411875
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234408
[2-[2-(2,4-Dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 16274337
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoate
CID 16293982
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 24688091
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16241850
N,4-dimethyl-N-(4-morpholino-4-oxobutyl)benzenesulfonamide
CID 1953555
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2379170
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3355155
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168366
(1-Morpholin-4-yl-1-oxopropan-2-yl) 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 24686136

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate (CID 2497263) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
The InChIKey is NKJQHGXAAOAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-12-5-7-13(8-6-12)25(22,23)17(2)10-16(21)24-11-15(20)18-9-3-4-14(18)19/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate has a molecular weight of 368.41 g/mol, XLogP of 0.31, 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] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate is sourced from PubChem (CID 2497263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).