[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate

C22H18N4O5S2 — CID 4966178

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O5S2/c23-33(29,30)17-9-4-6-15(12-17)24-21(27)14-31-22(28)19-13-18(20-10-5-11-32-20)25-26(19)16-7-2-1-3-8-16/h1-13H,14H2,(H,24,27)(H2,23,29,30)
InChIKeyYKFXPDSMGKRLGP-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.04
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate (PubChem CID 4966178) has the molecular formula C22H18N4O5S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
PubChem CID4966178
Molecular FormulaC22H18N4O5S2
Molecular Weight482.54 g/mol
Exact Mass482.07
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1
InChIInChI=1S/C22H18N4O5S2/c23-33(29,30)17-9-4-6-15(12-17)24-21(27)14-31-22(28)19-13-18(20-10-5-11-32-20)25-26(19)16-7-2-1-3-8-16/h1-13H,14H2,(H,24,27)(H2,23,29,30)
InChIKeyYKFXPDSMGKRLGP-UHFFFAOYSA-N
XLogP3.04
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 18274055
[2-(2-fluoroanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503828
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503741
[2-oxo-2-(propan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 2680887
[2-(2-acetylanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503754
[2-oxo-2-(3-sulfamoylanilino)ethyl] thiophene-2-carboxylate
CID 5029047
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503750
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7221854
(3,3-dimethyl-2-oxobutyl) 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7221865
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 43026666
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7221881
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate (CID 4966178) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
The InChIKey is YKFXPDSMGKRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5S2/c23-33(29,30)17-9-4-6-15(12-17)24-21(27)14-31-22(28)19-13-18(20-10-5-11-32-20)25-26(19)16-7-2-1-3-8-16/h1-13H,14H2,(H,24,27)(H2,23,29,30).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 3.04, 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] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 4966178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).