1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C22H22N4O5S2 — CID 6494509

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O5S2/c1-2-31-18-7-5-17(6-8-18)26-14-15(13-20(26)27)21(28)24-16-3-9-19(10-4-16)33(29,30)25-22-23-11-12-32-22/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyWLGFQRQGIMHRTC-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.33
Rot. Bonds8

About 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6494509) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6494509
Molecular FormulaC22H22N4O5S2
Molecular Weight486.58 g/mol
Exact Mass486.10
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O5S2/c1-2-31-18-7-5-17(6-8-18)26-14-15(13-20(26)27)21(28)24-16-3-9-19(10-4-16)33(29,30)25-22-23-11-12-32-22/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyWLGFQRQGIMHRTC-UHFFFAOYSA-N
XLogP3.33
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(4-Methoxy-benzylidene)-2,4-dioxo-thiazolidin-3-yl]-N-[4-(thiazol-2-ylsulfamoyl)-phenyl]-propionamide
CID 5758223
3-cyano-4-[4-(2-oxo-4-propan-2-ylimidazolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716789
3-cyano-4-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71719988
1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2911388
4-(2,3-dimethylphenoxy)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}butanamide
CID 1575150
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 2408166
2-phenoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2915094
1-(4-methoxyphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2947457
2-(4-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 2983262
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-o-tolyloxy-propionamide
CID 3161313
N-[4-(Thiazol-2-ylsulfamoyl)-phenyl]-2-p-tolyloxy-butyramide
CID 3163983
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-thiazol-2-yl-succinamide
CID 3205396

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6494509) is 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WLGFQRQGIMHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c1-2-31-18-7-5-17(6-8-18)26-14-15(13-20(26)27)21(28)24-16-3-9-19(10-4-16)33(29,30)25-22-23-11-12-32-22/h3-12,15H,2,13-14H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6494509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).