[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate

C20H24N2O6S — CID 7489147

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C20H24N2O6S/c1-14-7-5-6-8-15(14)11-20(24)28-13-19(23)21-17-12-16(9-10-18(17)27-4)29(25,26)22(2)3/h5-10,12H,11,13H2,1-4H3,(H,21,23)
InChIKeyGGBJDYCBEKDLCG-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.98
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate (PubChem CID 7489147) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
PubChem CID7489147
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cc1ccccc1C
InChIInChI=1S/C20H24N2O6S/c1-14-7-5-6-8-15(14)11-20(24)28-13-19(23)21-17-12-16(9-10-18(17)27-4)29(25,26)22(2)3/h5-10,12H,11,13H2,1-4H3,(H,21,23)
InChIKeyGGBJDYCBEKDLCG-UHFFFAOYSA-N
XLogP1.98
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 42976920
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670665
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 5026554
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 4234348
2-(2-acetamidophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 7873856
2-(2-bromophenoxy)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 4795217
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 26205520
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate (CID 7489147) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cc1ccccc1C.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
The InChIKey is GGBJDYCBEKDLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-14-7-5-6-8-15(14)11-20(24)28-13-19(23)21-17-12-16(9-10-18(17)27-4)29(25,26)22(2)3/h5-10,12H,11,13H2,1-4H3,(H,21,23).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate has a molecular weight of 420.49 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate is sourced from PubChem (CID 7489147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).