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

C21H24N2O5S — CID 18073914

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O5S/c1-2-23(18-10-4-3-5-11-18)29(26,27)19-12-8-9-17(15-19)21(25)28-16-20(24)22-13-6-7-14-22/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3
InChIKeyJEQPCISNWKAQHZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.68
Rot. Bonds7

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

(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 18073914) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID18073914
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O5S/c1-2-23(18-10-4-3-5-11-18)29(26,27)19-12-8-9-17(15-19)21(25)28-16-20(24)22-13-6-7-14-22/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3
InChIKeyJEQPCISNWKAQHZ-UHFFFAOYSA-N
XLogP2.68
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530659
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577860
[2-(cyclopropylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579762
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530671
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 4803894
[2-(3-methylanilino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579741
[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579521
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 24818212
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 16530670
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate (CID 18073914) is (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2)c1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is JEQPCISNWKAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-2-23(18-10-4-3-5-11-18)29(26,27)19-12-8-9-17(15-19)21(25)28-16-20(24)22-13-6-7-14-22/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 3-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 416.50 g/mol, XLogP of 2.68, 7 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-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 18073914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).