[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

C19H21N3O6S — CID 9017786

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)12-28-19(25)14-5-4-6-16(11-14)29(26,27)22(2)3/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyGLNPFDNFIUEEMR-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.09
Rot. Bonds7

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 9017786) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID9017786
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C19H21N3O6S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)12-28-19(25)14-5-4-6-16(11-14)29(26,27)22(2)3/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyGLNPFDNFIUEEMR-UHFFFAOYSA-N
XLogP1.09
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-(3-cyanoanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7666980
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2337896
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-iodobenzoate
CID 27877619
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 23965276
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 18076307
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 166207634
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,3-dihydro-1-benzofuran-5-carboxylate
CID 38243392

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate (CID 9017786) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is CNC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is GLNPFDNFIUEEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-20-18(24)13-7-9-15(10-8-13)21-17(23)12-28-19(25)14-5-4-6-16(11-14)29(26,27)22(2)3/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 419.46 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 9017786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).