[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate

C19H19NO7S — CID 8638261

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H19NO7S/c1-13(21)14-7-9-15(10-8-14)26-12-19(23)27-11-18(22)20-16-5-3-4-6-17(16)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyYSSFHZXBBCZDJB-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.85
Rot. Bonds8

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate (PubChem CID 8638261) has the molecular formula C19H19NO7S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
PubChem CID8638261
Molecular FormulaC19H19NO7S
Molecular Weight405.43 g/mol
Exact Mass405.09
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1
InChIInChI=1S/C19H19NO7S/c1-13(21)14-7-9-15(10-8-14)26-12-19(23)27-11-18(22)20-16-5-3-4-6-17(16)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyYSSFHZXBBCZDJB-UHFFFAOYSA-N
XLogP1.85
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8551082
2-(4-acetylphenoxy)-N-(2-iodophenyl)acetamide
CID 2621387
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8958204
[2-(2-carbamoylanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196596
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7903061
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8987404
[2-(2-cyanoanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196431
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855530

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate (CID 8638261) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)cc1.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
The InChIKey is YSSFHZXBBCZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7S/c1-13(21)14-7-9-15(10-8-14)26-12-19(23)27-11-18(22)20-16-5-3-4-6-17(16)28(2,24)25/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate has a molecular weight of 405.43 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 8638261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).