2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide

C21H27N3O4S — CID 8622710

IUPAC2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H27N3O4S/c1-14-10-15(2)21(16(3)11-14)23-20(26)13-24(4)12-19(25)22-17-8-6-7-9-18(17)29(5,27)28/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyLYHJOIPCHURNKV-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.52
Rot. Bonds7

About 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8622710) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8622710
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(C)c1
InChIInChI=1S/C21H27N3O4S/c1-14-10-15(2)21(16(3)11-14)23-20(26)13-24(4)12-19(25)22-17-8-6-7-9-18(17)29(5,27)28/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyLYHJOIPCHURNKV-UHFFFAOYSA-N
XLogP2.52
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetyl]amino]benzoate
CID 9339387
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylacetamide
CID 9339160
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279
2-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38211944
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
CID 17498635
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635344

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide (CID 8622710) is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is LYHJOIPCHURNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-10-15(2)21(16(3)11-14)23-20(26)13-24(4)12-19(25)22-17-8-6-7-9-18(17)29(5,27)28/h6-11H,12-13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8622710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).