[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate

C15H18N2O6S — CID 2628337

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1
InChIInChI=1S/C15H18N2O6S/c1-16(2)24(21,22)12-6-3-5-11(9-12)15(20)23-10-14(19)17-8-4-7-13(17)18/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyWOOGDUSFIDDWND-UHFFFAOYSA-N
MW354.38 g/mol
LogP0.24
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 2628337) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID2628337
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1
InChIInChI=1S/C15H18N2O6S/c1-16(2)24(21,22)12-6-3-5-11(9-12)15(20)23-10-14(19)17-8-4-7-13(17)18/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyWOOGDUSFIDDWND-UHFFFAOYSA-N
XLogP0.24
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
Methyl 1-[2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3367827
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 4071992
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate
CID 8934192
4-Chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester
CID 2434904
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938
[2-(Azepan-1-yl)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2434592
[2-(Benzylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2465012
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2587685
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4389350
2-(2-Oxopyrrolidin-1-yl)ethyl 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 4645241
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 4654944

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate (CID 2628337) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is WOOGDUSFIDDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-16(2)24(21,22)12-6-3-5-11(9-12)15(20)23-10-14(19)17-8-4-7-13(17)18/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 354.38 g/mol, XLogP of 0.24, 5 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-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2628337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).