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

C13H12N2O6S — CID 2389466

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C13H12N2O6S/c14-22(18,19)10-5-3-9(4-6-10)15-12(16)8-21-13(17)11-2-1-7-20-11/h1-7H,8H2,(H,15,16)(H2,14,18,19)
InChIKeyGBVWOQFYDMDVAW-UHFFFAOYSA-N
MW324.31 g/mol
LogP0.72
Rot. Bonds5

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

[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate (PubChem CID 2389466) has the molecular formula C13H12N2O6S and a molecular weight of 324.31 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
PubChem CID2389466
Molecular FormulaC13H12N2O6S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C13H12N2O6S/c14-22(18,19)10-5-3-9(4-6-10)15-12(16)8-21-13(17)11-2-1-7-20-11/h1-7H,8H2,(H,15,16)(H2,14,18,19)
InChIKeyGBVWOQFYDMDVAW-UHFFFAOYSA-N
XLogP0.72
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2354784
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,6-difluorobenzoate
CID 2515189
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715186
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate (CID 2389466) is [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate?
The InChIKey is GBVWOQFYDMDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6S/c14-22(18,19)10-5-3-9(4-6-10)15-12(16)8-21-13(17)11-2-1-7-20-11/h1-7H,8H2,(H,15,16)(H2,14,18,19).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate has a molecular weight of 324.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate is sourced from PubChem (CID 2389466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).