2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

C18H22N2O3S — CID 113153664

IUPAC2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-10-14(2)18(15(3)11-13)19-17(21)12-20(24(4,22)23)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyJBHPKMBMUKWSAC-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds5

About 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide

2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 113153664) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID113153664
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H22N2O3S/c1-13-10-14(2)18(15(3)11-13)19-17(21)12-20(24(4,22)23)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyJBHPKMBMUKWSAC-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1295562
2-(4-iodo-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2194266
2-(3-acetyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113155569
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
N-(2,6-diethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153665
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113154075
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2943131
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide (CID 113153664) is 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JBHPKMBMUKWSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-10-14(2)18(15(3)11-13)19-17(21)12-20(24(4,22)23)16-8-6-5-7-9-16/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide?
2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 113153664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).