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

C22H21N3O7S — CID 2116610

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H21N3O7S/c23-33(29,30)16-9-7-15(8-10-16)11-12-24-20(26)14-32-22(28)17-4-1-2-5-18(17)25-21(27)19-6-3-13-31-19/h1-10,13H,11-12,14H2,(H,24,26)(H,25,27)(H2,23,29,30)
InChIKeyRETFSIOHHLQGRJ-UHFFFAOYSA-N
MW471.49 g/mol
LogP1.70
Rot. Bonds9

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

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2116610) has the molecular formula C22H21N3O7S and a molecular weight of 471.49 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2116610
Molecular FormulaC22H21N3O7S
Molecular Weight471.49 g/mol
Exact Mass471.11
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H21N3O7S/c23-33(29,30)16-9-7-15(8-10-16)11-12-24-20(26)14-32-22(28)17-4-1-2-5-18(17)25-21(27)19-6-3-13-31-19/h1-10,13H,11-12,14H2,(H,24,26)(H,25,27)(H2,23,29,30)
InChIKeyRETFSIOHHLQGRJ-UHFFFAOYSA-N
XLogP1.70
TPSA157.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate with MolForge

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Related Compounds

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 24671488
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42981396
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
N-[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]furan-2-carboxamide
CID 2468415
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methoxynaphthalene-2-carboxylate
CID 2689452

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate (CID 2116610) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is RETFSIOHHLQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7S/c23-33(29,30)16-9-7-15(8-10-16)11-12-24-20(26)14-32-22(28)17-4-1-2-5-18(17)25-21(27)19-6-3-13-31-19/h1-10,13H,11-12,14H2,(H,24,26)(H,25,27)(H2,23,29,30).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 471.49 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2116610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).