[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate

C19H22N2O5S — CID 9016360

IUPAC[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCc2ccccc2)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-16(12-17(14)27(24,25)20-2)21-18(22)13-26-19(23)11-9-15-6-4-3-5-7-15/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,21,22)
InChIKeyQEBDCFSFKAUKPL-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.02
Rot. Bonds8

About [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate (PubChem CID 9016360) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
PubChem CID9016360
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCc2ccccc2)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-14-8-10-16(12-17(14)27(24,25)20-2)21-18(22)13-26-19(23)11-9-15-6-4-3-5-7-15/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,21,22)
InChIKeyQEBDCFSFKAUKPL-UHFFFAOYSA-N
XLogP2.02
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578282
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 26747038
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566902
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854
methyl 4-[[2-(3-phenylpropanoyloxy)acetyl]amino]benzoate
CID 7654687
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-[4-(dimethylamino)phenyl]propanoate
CID 8003560
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611

Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate (CID 9016360) is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate is CNS(=O)(=O)c1cc(NC(=O)COC(=O)CCc2ccccc2)ccc1C.
What is the InChIKey of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is QEBDCFSFKAUKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14-8-10-16(12-17(14)27(24,25)20-2)21-18(22)13-26-19(23)11-9-15-6-4-3-5-7-15/h3-8,10,12,20H,9,11,13H2,1-2H3,(H,21,22).
What are the key properties of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate?
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 390.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 9016360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).