[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

C21H26N2O5S — CID 8508262

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H26N2O5S/c1-5-17-11-8-10-16(3)21(17)22-19(24)14-28-20(25)13-23(29(4,26)27)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyWOYCZLCIAUIHOF-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.81
Rot. Bonds8

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 8508262) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID8508262
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CN(c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C21H26N2O5S/c1-5-17-11-8-10-16(3)21(17)22-19(24)14-28-20(25)13-23(29(4,26)27)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,22,24)
InChIKeyWOYCZLCIAUIHOF-UHFFFAOYSA-N
XLogP2.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
[2-(3-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508389
[2-(4-chloroanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508439
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
[2-(benzylamino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508416
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602638
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,6-diethylphenyl)acetamide
CID 26565897
N-(2,6-diethylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153846
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 8508262) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is CCc1cccc(C)c1NC(=O)COC(=O)CN(c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is WOYCZLCIAUIHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-5-17-11-8-10-16(3)21(17)22-19(24)14-28-20(25)13-23(29(4,26)27)18-12-7-6-9-15(18)2/h6-12H,5,13-14H2,1-4H3,(H,22,24).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 418.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 8508262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).