[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

C19H21N3O6S — CID 2604550

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)22(3)29(26,27)16-6-4-5-14(11-16)18(24)28-12-17(23)21-19(25)20-2/h4-11H,12H2,1-3H3,(H2,20,21,23,25)
InChIKeyOYVCCGGPMFWEOF-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.43
Rot. Bonds6

About [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 2604550) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
PubChem CID2604550
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1
InChIInChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)22(3)29(26,27)16-6-4-5-14(11-16)18(24)28-12-17(23)21-19(25)20-2/h4-11H,12H2,1-3H3,(H2,20,21,23,25)
InChIKeyOYVCCGGPMFWEOF-UHFFFAOYSA-N
XLogP1.43
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577473
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577669
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604431
[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 2610500
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2675190
[2-(4-methylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42965242
[2-(tert-butylamino)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577529
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604741
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 2604446

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate (CID 2604550) is [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is CNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is OYVCCGGPMFWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)22(3)29(26,27)16-6-4-5-14(11-16)18(24)28-12-17(23)21-19(25)20-2/h4-11H,12H2,1-3H3,(H2,20,21,23,25).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 419.46 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2604550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).