[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate

C20H19N3O6S — CID 2116601

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-3-7-16(8-4-13)23-30(26,27)17-9-5-15(6-10-17)20(25)28-12-19(24)21-18-11-14(2)29-22-18/h3-11,23H,12H2,1-2H3,(H,21,22,24)
InChIKeyQRHVSDMUQGFLBI-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.89
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 2116601) has the molecular formula C20H19N3O6S and a molecular weight of 429.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID2116601
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)cc1
InChIInChI=1S/C20H19N3O6S/c1-13-3-7-16(8-4-13)23-30(26,27)17-9-5-15(6-10-17)20(25)28-12-19(24)21-18-11-14(2)29-22-18/h3-11,23H,12H2,1-2H3,(H,21,22,24)
InChIKeyQRHVSDMUQGFLBI-UHFFFAOYSA-N
XLogP2.89
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-3-isoxazolyl)-4-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1300581
3-{[(3-{[(5-Methyl-3-isoxazolyl)amino]carbonyl}phenyl)sulfonyl]amino}benzoic acid
CID 992296
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2118247
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2514844
N-(5-Methyl-isoxazol-3-yl)-3-p-tolylsulfamoyl-benzamide
CID 1253133
2-[(5-Methyl-3-isoxazolyl)amino]-2-oxoethyl 3-[[(4-methoxyphenyl)amino]sulfonyl]benzoate
CID 2098151
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2116404
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2116681
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2117728
2-(5-methylisoxazol-3-ylamino)-2-oxoethyl 2-methyl-5-(N-m-tolylsulfamoyl)benzoate
CID 2117743
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 2122131
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2551337

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 2116601) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3cc(C)on3)cc2)cc1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is QRHVSDMUQGFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-13-3-7-16(8-4-13)23-30(26,27)17-9-5-15(6-10-17)20(25)28-12-19(24)21-18-11-14(2)29-22-18/h3-11,23H,12H2,1-2H3,(H,21,22,24).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 429.45 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2116601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).