2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C13H20N2O3S — CID 30464677

IUPAC2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)19(5,17)18/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyHDQVSNPZYLYHTK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.44
Rot. Bonds4

About 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 30464677) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID30464677
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)19(5,17)18/h6-7H,8H2,1-5H3,(H,14,16)
InChIKeyHDQVSNPZYLYHTK-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113153664
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-pyridinyl)acetamide
CID 47351627
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 21173330
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 100787274
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 30464677) is 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is HDQVSNPZYLYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)14-12(16)8-15(4)19(5,17)18/h6-7H,8H2,1-5H3,(H,14,16).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 30464677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).