[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C20H19N3O7S — CID 16596864

IUPAC[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccon3)c2)cc1
InChIInChI=1S/C20H19N3O7S/c1-23(15-6-8-16(28-2)9-7-15)31(26,27)17-5-3-4-14(12-17)20(25)29-13-19(24)21-18-10-11-30-22-18/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyMPLIVMZDRPSVCP-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.30
Rot. Bonds8

About [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 16596864) has the molecular formula C20H19N3O7S and a molecular weight of 445.45 g/mol. Its IUPAC name is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID16596864
Molecular FormulaC20H19N3O7S
Molecular Weight445.45 g/mol
Exact Mass445.09
IUPAC Name[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccon3)c2)cc1
InChIInChI=1S/C20H19N3O7S/c1-23(15-6-8-16(28-2)9-7-15)31(26,27)17-5-3-4-14(12-17)20(25)29-13-19(24)21-18-10-11-30-22-18/h3-12H,13H2,1-2H3,(H,21,22,24)
InChIKeyMPLIVMZDRPSVCP-UHFFFAOYSA-N
XLogP2.30
TPSA128.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2586329
[2-(2-methoxyanilino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2348338
(6-chloro-3-pyridinyl)methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 31048298
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604550
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
[2-(3-methoxyanilino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753749
[2-(4-methoxyanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528834
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 3-fluorobenzoate
CID 18777850

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 16596864) is [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3ccon3)c2)cc1.
What is the InChIKey of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is MPLIVMZDRPSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7S/c1-23(15-6-8-16(28-2)9-7-15)31(26,27)17-5-3-4-14(12-17)20(25)29-13-19(24)21-18-10-11-30-22-18/h3-12H,13H2,1-2H3,(H,21,22,24).
What are the key properties of [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 445.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 16596864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).