[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

C14H15N3O7S — CID 4029983

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15N3O7S/c15-25(22,23)10-3-1-9(2-4-10)16-11(18)8-24-14(21)7-17-12(19)5-6-13(17)20/h1-4H,5-8H2,(H,16,18)(H2,15,22,23)
InChIKeyDXRMABNEBCIDKD-UHFFFAOYSA-N
MW369.36 g/mol
LogP-1.04
Rot. Bonds6

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 4029983) has the molecular formula C14H15N3O7S and a molecular weight of 369.36 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID4029983
Molecular FormulaC14H15N3O7S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C14H15N3O7S/c15-25(22,23)10-3-1-9(2-4-10)16-11(18)8-24-14(21)7-17-12(19)5-6-13(17)20/h1-4H,5-8H2,(H,16,18)(H2,15,22,23)
InChIKeyDXRMABNEBCIDKD-UHFFFAOYSA-N
XLogP-1.04
TPSA152.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(benzotriazol-1-yl)acetate
CID 25037674
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 25415299
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7819713
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55941638
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
[2-oxo-2-(4-sulfamoylanilino)ethyl] but-2-enoate
CID 3457190
[2-oxo-2-(4-sulfamoylanilino)ethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2468863
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 2608529

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (CID 4029983) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)CCC2=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is DXRMABNEBCIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O7S/c15-25(22,23)10-3-1-9(2-4-10)16-11(18)8-24-14(21)7-17-12(19)5-6-13(17)20/h1-4H,5-8H2,(H,16,18)(H2,15,22,23).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 369.36 g/mol, XLogP of -1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 4029983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).