[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate

C13H12N2O6S2 — CID 166201469

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(O)cs2)cc1
InChIInChI=1S/C13H12N2O6S2/c14-23(19,20)10-3-1-8(2-4-10)15-12(17)6-21-13(18)11-5-9(16)7-22-11/h1-5,7,16H,6H2,(H,15,17)(H2,14,19,20)
InChIKeyINHQEKDWWSDNGO-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.90
Rot. Bonds5

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate (PubChem CID 166201469) has the molecular formula C13H12N2O6S2 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate
PubChem CID166201469
Molecular FormulaC13H12N2O6S2
Molecular Weight356.38 g/mol
Exact Mass356.01
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(O)cs2)cc1
InChIInChI=1S/C13H12N2O6S2/c14-23(19,20)10-3-1-8(2-4-10)15-12(17)6-21-13(18)11-5-9(16)7-22-11/h1-5,7,16H,6H2,(H,15,17)(H2,14,19,20)
InChIKeyINHQEKDWWSDNGO-UHFFFAOYSA-N
XLogP0.90
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7835119
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
CID 2515189
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 55316135
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloropyridine-4-carboxylate
CID 24524541
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 2482620
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-thiophen-2-ylacetate
CID 7798869
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
[2-oxo-2-(4-sulfamoylanilino)ethyl] (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2668875

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate (CID 166201469) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(O)cs2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate?
The InChIKey is INHQEKDWWSDNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6S2/c14-23(19,20)10-3-1-8(2-4-10)15-12(17)6-21-13(18)11-5-9(16)7-22-11/h1-5,7,16H,6H2,(H,15,17)(H2,14,19,20).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-hydroxythiophene-2-carboxylate is sourced from PubChem (CID 166201469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).