[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

C24H21N5O5S — CID 42981397

IUPAC[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21N5O5S/c25-35(32,33)20-13-11-17(12-14-20)15-26-21(30)16-34-24(31)22-27-23(18-7-3-1-4-8-18)29(28-22)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,25,32,33)
InChIKeyIJEVHHZCAMPBHF-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.05
Rot. Bonds8

About [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate (PubChem CID 42981397) has the molecular formula C24H21N5O5S and a molecular weight of 491.53 g/mol. Its IUPAC name is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
PubChem CID42981397
Molecular FormulaC24H21N5O5S
Molecular Weight491.53 g/mol
Exact Mass491.13
IUPAC Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H21N5O5S/c25-35(32,33)20-13-11-17(12-14-20)15-26-21(30)16-34-24(31)22-27-23(18-7-3-1-4-8-18)29(28-22)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,25,32,33)
InChIKeyIJEVHHZCAMPBHF-UHFFFAOYSA-N
XLogP2.05
TPSA146.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 34655162
[2-(methylcarbamoylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606617
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 31127005
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606622
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606581
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 46607183
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 18078007
[2-(2,3-dichloroanilino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 4801442
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 55314515
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2606608
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2394694
1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2451355

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate (CID 42981397) is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate is NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
The InChIKey is IJEVHHZCAMPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5S/c25-35(32,33)20-13-11-17(12-14-20)15-26-21(30)16-34-24(31)22-27-23(18-7-3-1-4-8-18)29(28-22)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,30)(H2,25,32,33).
What are the key properties of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate?
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate has a molecular weight of 491.53 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 42981397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).