[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate

C18H24N2O6S — CID 24980423

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C18H24N2O6S/c1-12-7-8-13(27(24,25)19-18(2,3)4)10-14(12)17(23)26-11-16(22)20-9-5-6-15(20)21/h7-8,10,19H,5-6,9,11H2,1-4H3
InChIKeyXNTMBYXWLZYTFS-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.38
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate (PubChem CID 24980423) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate
PubChem CID24980423
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C18H24N2O6S/c1-12-7-8-13(27(24,25)19-18(2,3)4)10-14(12)17(23)26-11-16(22)20-9-5-6-15(20)21/h7-8,10,19H,5-6,9,11H2,1-4H3
InChIKeyXNTMBYXWLZYTFS-UHFFFAOYSA-N
XLogP1.38
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate 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-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
Methyl 1-[2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3367827
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 5094837
[2-(Benzylamino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2346668
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2478441
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 3513905
2-(2-Oxopyrrolidin-1-yl)ethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 4645241
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 4801125
[2-(Cyclopropylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 4854139

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate (CID 24980423) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate?
The InChIKey is XNTMBYXWLZYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-12-7-8-13(27(24,25)19-18(2,3)4)10-14(12)17(23)26-11-16(22)20-9-5-6-15(20)21/h7-8,10,19H,5-6,9,11H2,1-4H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-(tert-butylsulfamoyl)-2-methylbenzoate has a molecular weight of 396.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 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] 5-(tert-butylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 24980423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).