[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate

C20H24N2O6S — CID 8634998

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-15-7-5-9-17(11-15)27-14-20(24)28-13-19(23)21-16-8-6-10-18(12-16)29(25,26)22(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyWZTJNVKIMCMWSZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.06
Rot. Bonds9

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate (PubChem CID 8634998) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
PubChem CID8634998
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
SMILESCCc1cccc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C20H24N2O6S/c1-4-15-7-5-9-17(11-15)27-14-20(24)28-13-19(23)21-16-8-6-10-18(12-16)29(25,26)22(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyWZTJNVKIMCMWSZ-UHFFFAOYSA-N
XLogP2.06
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982096
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
[2-(3-ethylanilino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273522
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate (CID 8634998) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate is CCc1cccc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate?
The InChIKey is WZTJNVKIMCMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-15-7-5-9-17(11-15)27-14-20(24)28-13-19(23)21-16-8-6-10-18(12-16)29(25,26)22(2)3/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate has a molecular weight of 420.49 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate is sourced from PubChem (CID 8634998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).