[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C20H23N3O7S — CID 55368665

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C20H23N3O7S/c21-31(27,28)15-7-5-14(6-8-15)9-10-22-18(24)13-30-20(26)16-3-1-11-23(16)19(25)17-4-2-12-29-17/h2,4-8,12,16H,1,3,9-11,13H2,(H,22,24)(H2,21,27,28)
InChIKeyRMKYIUHYYFNSFR-UHFFFAOYSA-N
MW449.49 g/mol
LogP0.43
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55368665) has the molecular formula C20H23N3O7S and a molecular weight of 449.49 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55368665
Molecular FormulaC20H23N3O7S
Molecular Weight449.49 g/mol
Exact Mass449.13
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2ccco2)cc1
InChIInChI=1S/C20H23N3O7S/c21-31(27,28)15-7-5-14(6-8-15)9-10-22-18(24)13-30-20(26)16-3-1-11-23(16)19(25)17-4-2-12-29-17/h2,4-8,12,16H,1,3,9-11,13H2,(H,22,24)(H2,21,27,28)
InChIKeyRMKYIUHYYFNSFR-UHFFFAOYSA-N
XLogP0.43
TPSA149.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944091
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] furan-2-carboxylate
CID 7891668
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601871
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 4073171
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368960
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368916
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9465319
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944292
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 4830325

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 55368665) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCCN2C(=O)c2ccco2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is RMKYIUHYYFNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7S/c21-31(27,28)15-7-5-14(6-8-15)9-10-22-18(24)13-30-20(26)16-3-1-11-23(16)19(25)17-4-2-12-29-17/h2,4-8,12,16H,1,3,9-11,13H2,(H,22,24)(H2,21,27,28).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 449.49 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 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] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55368665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).