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

C20H24N2O6S — CID 8578282

IUPAC[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCOc2cccc(C)c2)ccc1C
InChIInChI=1S/C20H24N2O6S/c1-14-5-4-6-17(11-14)27-10-9-20(24)28-13-19(23)22-16-8-7-15(2)18(12-16)29(25,26)21-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,23)
InChIKeyVSUHGRMFPJZIER-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.16
Rot. Bonds9

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

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (PubChem CID 8578282) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
PubChem CID8578282
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
SMILESCNS(=O)(=O)c1cc(NC(=O)COC(=O)CCOc2cccc(C)c2)ccc1C
InChIInChI=1S/C20H24N2O6S/c1-14-5-4-6-17(11-14)27-10-9-20(24)28-13-19(23)22-16-8-7-15(2)18(12-16)29(25,26)21-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,23)
InChIKeyVSUHGRMFPJZIER-UHFFFAOYSA-N
XLogP2.16
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199194
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139425
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 9016360
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
[2-(3-chloroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7167454
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7147989
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(3-methylphenoxy)propanoate
CID 7840372
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(3-methylphenoxy)butanoate
CID 7148015
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139426
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679

Frequently Asked Questions

What is the IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate (CID 8578282) is [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate is CNS(=O)(=O)c1cc(NC(=O)COC(=O)CCOc2cccc(C)c2)ccc1C.
What is the InChIKey of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
The InChIKey is VSUHGRMFPJZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-14-5-4-6-17(11-14)27-10-9-20(24)28-13-19(23)22-16-8-7-15(2)18(12-16)29(25,26)21-3/h4-8,11-12,21H,9-10,13H2,1-3H3,(H,22,23).
What are the key properties of [2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate?
[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate has a molecular weight of 420.49 g/mol, XLogP of 2.16, 9 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] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 8578282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).