[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

C19H22N2O5S — CID 18145462

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-14-9-11-15(12-10-14)20-18(22)13-26-19(23)16-7-5-6-8-17(16)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyTUUGUMBZQUFPOE-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.44
Rot. Bonds7

About [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (PubChem CID 18145462) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
PubChem CID18145462
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O5S/c1-4-14-9-11-15(12-10-14)20-18(22)13-26-19(23)16-7-5-6-8-17(16)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyTUUGUMBZQUFPOE-UHFFFAOYSA-N
XLogP2.44
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-(2-phenylethyl)benzoate
CID 23825338
[2-oxo-2-(4-propylanilino)ethyl] 2-methylsulfonylbenzoate
CID 18127500
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855185
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
ethyl 2-[(2-anilino-2-oxoethyl)-methylsulfonylamino]benzoate
CID 113157108
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 18145478
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544721
[2-(4-ethylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863033
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (CID 18145462) is [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is CCc1ccc(NC(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The InChIKey is TUUGUMBZQUFPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-14-9-11-15(12-10-14)20-18(22)13-26-19(23)16-7-5-6-8-17(16)21(2)27(3,24)25/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is sourced from PubChem (CID 18145462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).