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

C19H19N3O6S — CID 9131651

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C19H19N3O6S/c20-29(26,27)14-6-3-5-13(11-14)21-17(23)12-28-19(25)15-7-1-2-8-16(15)22-10-4-9-18(22)24/h1-3,5-8,11H,4,9-10,12H2,(H,21,23)(H2,20,26,27)
InChIKeyUBQCGGHVACRFDB-UHFFFAOYSA-N
MW417.44 g/mol
LogP1.26
Rot. Bonds6

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

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9131651) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9131651
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c1
InChIInChI=1S/C19H19N3O6S/c20-29(26,27)14-6-3-5-13(11-14)21-17(23)12-28-19(25)15-7-1-2-8-16(15)22-10-4-9-18(22)24/h1-3,5-8,11H,4,9-10,12H2,(H,21,23)(H2,20,26,27)
InChIKeyUBQCGGHVACRFDB-UHFFFAOYSA-N
XLogP1.26
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[2-(3-nitroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131387
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131092
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133179
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9132614
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131031
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 42964864
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9134507
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131293
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
CID 7785472

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate (CID 9131651) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is UBQCGGHVACRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c20-29(26,27)14-6-3-5-13(11-14)21-17(23)12-28-19(25)15-7-1-2-8-16(15)22-10-4-9-18(22)24/h1-3,5-8,11H,4,9-10,12H2,(H,21,23)(H2,20,26,27).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 417.44 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9131651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).