[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

C19H21NO6S — CID 8551082

IUPAC[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)c1C
InChIInChI=1S/C19H21NO6S/c1-13-7-6-9-16(14(13)2)25-12-19(22)26-11-18(21)20-15-8-4-5-10-17(15)27(3,23)24/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyBWWKUPBQIKUNEJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.27
Rot. Bonds7

About [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (PubChem CID 8551082) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
PubChem CID8551082
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Name[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)c1C
InChIInChI=1S/C19H21NO6S/c1-13-7-6-9-16(14(13)2)25-12-19(22)26-11-18(21)20-15-8-4-5-10-17(15)27(3,23)24/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyBWWKUPBQIKUNEJ-UHFFFAOYSA-N
XLogP2.27
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309760
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 8638261
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593344
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982127
3-amino-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 82034375
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581903
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982131

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (CID 8551082) is [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)Nc2ccccc2S(C)(=O)=O)c1C.
What is the InChIKey of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is BWWKUPBQIKUNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-13-7-6-9-16(14(13)2)25-12-19(22)26-11-18(21)20-15-8-4-5-10-17(15)27(3,23)24/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
[2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 391.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is sourced from PubChem (CID 8551082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).