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

C20H19N3O6S — CID 2551337

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)no1
InChIInChI=1S/C20H19N3O6S/c1-14-12-18(22-29-14)21-19(24)13-28-20(25)16-10-6-7-11-17(16)30(26,27)23(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyYCXSPBXETGYFRG-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.60
Rot. Bonds7

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2551337) 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] 2-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2551337
Molecular FormulaC20H19N3O6S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)no1
InChIInChI=1S/C20H19N3O6S/c1-14-12-18(22-29-14)21-19(24)13-28-20(25)16-10-6-7-11-17(16)30(26,27)23(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyYCXSPBXETGYFRG-UHFFFAOYSA-N
XLogP2.60
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
1-((5-Methylisoxazol-3(2H)-ylidene)amino)-1-oxobutan-2-yl 2-benzamido-2-phenylacetate
CID 2916405
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-chloro-5-(dimethylsulfamoyl)benzoate
CID 4844463
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-nitrobenzoate
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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate (CID 2551337) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate is Cc1cc(NC(=O)COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is YCXSPBXETGYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S/c1-14-12-18(22-29-14)21-19(24)13-28-20(25)16-10-6-7-11-17(16)30(26,27)23(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,22,24).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 429.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 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] 2-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2551337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).