[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate

C19H18N4O5S2 — CID 43026666

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
SMILESCSc1ncc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccccc1
InChIInChI=1S/C19H18N4O5S2/c1-29-19-21-11-16(23(19)14-7-3-2-4-8-14)18(25)28-12-17(24)22-13-6-5-9-15(10-13)30(20,26)27/h2-11H,12H2,1H3,(H,22,24)(H2,20,26,27)
InChIKeyRYTQGAJOUITVFN-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.04
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate (PubChem CID 43026666) has the molecular formula C19H18N4O5S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
PubChem CID43026666
Molecular FormulaC19H18N4O5S2
Molecular Weight446.51 g/mol
Exact Mass446.07
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
SMILESCSc1ncc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccccc1
InChIInChI=1S/C19H18N4O5S2/c1-29-19-21-11-16(23(19)14-7-3-2-4-8-14)18(25)28-12-17(24)22-13-6-5-9-15(10-13)30(20,26)27/h2-11H,12H2,1H3,(H,22,24)(H2,20,26,27)
InChIKeyRYTQGAJOUITVFN-UHFFFAOYSA-N
XLogP2.04
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 46806459
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 16558954
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 4966178
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 29486724
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 3306887
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2580836
2-(2-acetamidophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7873845
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-ethoxy-4-methoxybenzoate
CID 7903326
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-(3-methylsulfanylanilino)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 16503209
3-(4-fluorophenyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-2-methylsulfanylimidazole-4-carboxamide
CID 37356551

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate (CID 43026666) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate is CSc1ncc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate?
The InChIKey is RYTQGAJOUITVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S2/c1-29-19-21-11-16(23(19)14-7-3-2-4-8-14)18(25)28-12-17(24)22-13-6-5-9-15(10-13)30(20,26)27/h2-11H,12H2,1H3,(H,22,24)(H2,20,26,27).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 43026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).