(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate

C20H22N2O5S — CID 2577860

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O5S/c1-21(17-9-3-2-4-10-17)28(25,26)18-11-7-8-16(14-18)20(24)27-15-19(23)22-12-5-6-13-22/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyONNYGQHQCXBJBJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.29
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2577860) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2577860
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O5S/c1-21(17-9-3-2-4-10-17)28(25,26)18-11-7-8-16(14-18)20(24)27-15-19(23)22-12-5-6-13-22/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyONNYGQHQCXBJBJ-UHFFFAOYSA-N
XLogP2.29
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4803894
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 18073914
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604552
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2585452
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604678

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate (CID 2577860) is (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is ONNYGQHQCXBJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-21(17-9-3-2-4-10-17)28(25,26)18-11-7-8-16(14-18)20(24)27-15-19(23)22-12-5-6-13-22/h2-4,7-11,14H,5-6,12-13,15H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 402.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2577860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).