[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

C23H27N3O6S — CID 3984516

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C23H27N3O6S/c1-25(19-9-3-2-4-10-19)33(30,31)20-11-5-8-18(16-20)23(29)32-17-21(27)24-13-7-15-26-14-6-12-22(26)28/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,24,27)
InChIKeyNDFBLFMGABSLLA-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.80
Rot. Bonds10

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 3984516) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID3984516
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C23H27N3O6S/c1-25(19-9-3-2-4-10-19)33(30,31)20-11-5-8-18(16-20)23(29)32-17-21(27)24-13-7-15-26-14-6-12-22(26)28/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,24,27)
InChIKeyNDFBLFMGABSLLA-UHFFFAOYSA-N
XLogP1.80
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 2097465
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CID 4182816
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CID 1346476
CID 1346476
CID 2083980
CID 2083980
CID 2092477
CID 2092477
CID 2097336
CID 2097336
CID 2102825
CID 2102825
CID 2114994
CID 2114994
CID 2116226
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CID 2118503
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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate (CID 3984516) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is NDFBLFMGABSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-25(19-9-3-2-4-10-19)33(30,31)20-11-5-8-18(16-20)23(29)32-17-21(27)24-13-7-15-26-14-6-12-22(26)28/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,24,27).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 473.55 g/mol, XLogP of 1.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 3984516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).