[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate

C20H19N3O7S — CID 2893334

IUPAC[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O7S/c1-2-16(19(26)22-12-7-9-13(10-8-12)31(21,28)29)30-17(24)11-23-15-6-4-3-5-14(15)18(25)20(23)27/h3-10,16H,2,11H2,1H3,(H,22,26)(H2,21,28,29)
InChIKeyABSPRDUYQGTBGZ-UHFFFAOYSA-N
MW445.45 g/mol
LogP0.82
Rot. Bonds7

About [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate

[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 2893334) has the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID2893334
Molecular FormulaC20H19N3O7S
Molecular Weight445.45 g/mol
Exact Mass445.09
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCCC(OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H19N3O7S/c1-2-16(19(26)22-12-7-9-13(10-8-12)31(21,28)29)30-17(24)11-23-15-6-4-3-5-14(15)18(25)20(23)27/h3-10,16H,2,11H2,1H3,(H,22,26)(H2,21,28,29)
InChIKeyABSPRDUYQGTBGZ-UHFFFAOYSA-N
XLogP0.82
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Mmpsi
CID 9840223
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
Isatin sulfonamide, 16a
CID 42618287
1H-Indole-2,3-dione, 5-((4-methyl-1-piperidinyl)sulfonyl)-
CID 4117477
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
(S)-1-(2,3-Dioxo-2,3-dihydro-1H-indole-5-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester
CID 9840785
Isatin Sulfonamide 24
CID 9907888
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4121579
N-{4-[(diethylamino)sulfonyl]phenyl}-2-(2-methoxyethyl)-3-oxoisoindoline-4-carboxamide
CID 3235931
(S)-5-(2-(methoxymethyl)pyrrolidin-1-ylsulfonyl)-1-methylindoline-2,3-dione
CID 11515586
tert-butyl 1-[(2,3-dioxo-1H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxylate
CID 22456709

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate (CID 2893334) is [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate is CCC(OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is ABSPRDUYQGTBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7S/c1-2-16(19(26)22-12-7-9-13(10-8-12)31(21,28)29)30-17(24)11-23-15-6-4-3-5-14(15)18(25)20(23)27/h3-10,16H,2,11H2,1H3,(H,22,26)(H2,21,28,29).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
[1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 445.45 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)butan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 2893334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).