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

C15H20N2O6S — CID 9199194

IUPAC[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCC(C)=O)ccc1C
InChIInChI=1S/C15H20N2O6S/c1-10-4-6-12(8-13(10)24(21,22)16-3)17-14(19)9-23-15(20)7-5-11(2)18/h4,6,8,16H,5,7,9H2,1-3H3,(H,17,19)
InChIKeyAOEVJFBYGJTCQD-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.75
Rot. Bonds8

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

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate (PubChem CID 9199194) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate.

Molecular Properties

Compound Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
PubChem CID9199194
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCC(C)=O)ccc1C
InChIInChI=1S/C15H20N2O6S/c1-10-4-6-12(8-13(10)24(21,22)16-3)17-14(19)9-23-15(20)7-5-11(2)18/h4,6,8,16H,5,7,9H2,1-3H3,(H,17,19)
InChIKeyAOEVJFBYGJTCQD-UHFFFAOYSA-N
XLogP0.75
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 9016360
[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-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 8566902
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 8579414
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-(3,4-dimethylanilino)-4-oxobutanoate
CID 17260934
5-amino-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pentanamide
CID 82013611
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56520446
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510085
[2-(4-iodoanilino)-2-oxoethyl] 4-oxopentanoate
CID 8626099

Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate (CID 9199194) is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate.
What is the SMILES notation for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The canonical SMILES for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate is CNS(=O)(=O)c1cc(NC(=O)COC(=O)CCC(C)=O)ccc1C.
What is the InChIKey of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
The InChIKey is AOEVJFBYGJTCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10-4-6-12(8-13(10)24(21,22)16-3)17-14(19)9-23-15(20)7-5-11(2)18/h4,6,8,16H,5,7,9H2,1-3H3,(H,17,19).
What are the key properties of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate?
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate has a molecular weight of 356.40 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate is sourced from PubChem (CID 9199194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).