[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate

C19H17N3O6S — CID 16595727

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccon3)cc2)cc1
InChIInChI=1S/C19H17N3O6S/c1-13-2-6-15(7-3-13)22-29(25,26)16-8-4-14(5-9-16)19(24)27-12-18(23)20-17-10-11-28-21-17/h2-11,22H,12H2,1H3,(H,20,21,23)
InChIKeyPWTSFPXSKVIWKH-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.58
Rot. Bonds7

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 16595727) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID16595727
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccon3)cc2)cc1
InChIInChI=1S/C19H17N3O6S/c1-13-2-6-15(7-3-13)22-29(25,26)16-8-4-14(5-9-16)19(24)27-12-18(23)20-17-10-11-28-21-17/h2-11,22H,12H2,1H3,(H,20,21,23)
InChIKeyPWTSFPXSKVIWKH-UHFFFAOYSA-N
XLogP2.58
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 42978921
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511770
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511945
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-formylbenzoate
CID 16595646
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 16599852
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512361
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42967803
[2-(methylamino)-2-oxoethyl] 4-[(4-acetylphenyl)sulfonylamino]benzoate
CID 7741002
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2090482

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 16595727) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccon3)cc2)cc1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is PWTSFPXSKVIWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c1-13-2-6-15(7-3-13)22-29(25,26)16-8-4-14(5-9-16)19(24)27-12-18(23)20-17-10-11-28-21-17/h2-11,22H,12H2,1H3,(H,20,21,23).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 415.43 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).