[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate

C15H16N2O6S — CID 7891668

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O6S/c16-24(20,21)12-5-3-11(4-6-12)7-8-17-14(18)10-23-15(19)13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,17,18)(H2,16,20,21)
InChIKeyULRICMJPMPEYQX-UHFFFAOYSA-N
MW352.37 g/mol
LogP0.44
Rot. Bonds7

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

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate (PubChem CID 7891668) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
PubChem CID7891668
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccco2)cc1
InChIInChI=1S/C15H16N2O6S/c16-24(20,21)12-5-3-11(4-6-12)7-8-17-14(18)10-23-15(19)13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,17,18)(H2,16,20,21)
InChIKeyULRICMJPMPEYQX-UHFFFAOYSA-N
XLogP0.44
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368665
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 6-methylpyridine-3-carboxylate
CID 31172106
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 5186489
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methylbut-2-enoate
CID 8759577

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate (CID 7891668) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccco2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate?
The InChIKey is ULRICMJPMPEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c16-24(20,21)12-5-3-11(4-6-12)7-8-17-14(18)10-23-15(19)13-2-1-9-22-13/h1-6,9H,7-8,10H2,(H,17,18)(H2,16,20,21).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate is sourced from PubChem (CID 7891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).