[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate

C13H12N2O5S2 — CID 5029047

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O5S2/c14-22(18,19)10-4-1-3-9(7-10)15-12(16)8-20-13(17)11-5-2-6-21-11/h1-7H,8H2,(H,15,16)(H2,14,18,19)
InChIKeyQZEMXQNFYAKPNL-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.19
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate (PubChem CID 5029047) has the molecular formula C13H12N2O5S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
PubChem CID5029047
Molecular FormulaC13H12N2O5S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O5S2/c14-22(18,19)10-4-1-3-9(7-10)15-12(16)8-20-13(17)11-5-2-6-21-11/h1-7H,8H2,(H,15,16)(H2,14,18,19)
InChIKeyQZEMXQNFYAKPNL-UHFFFAOYSA-N
XLogP1.19
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-sulfamoylphenyl)thiophene-2-carboxamide
CID 2812289
[2-(3-ethylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 8630914
[2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648776
[2-(3,4-difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 4966178
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(3-sulfamoylanilino)ethyl] 4-propan-2-yloxybenzoate
CID 7193300
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 55311692
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
CID 7790348
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 42964864
[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199427

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate (CID 5029047) is [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate?
The InChIKey is QZEMXQNFYAKPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S2/c14-22(18,19)10-4-1-3-9(7-10)15-12(16)8-20-13(17)11-5-2-6-21-11/h1-7H,8H2,(H,15,16)(H2,14,18,19).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 1.19, 5 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] thiophene-2-carboxylate is sourced from PubChem (CID 5029047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).