N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide

C18H22N2O3S — CID 50944671

IUPACN-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-9-10-13(2)16(11-12)19-18(21)15-7-6-8-17(14(15)3)20(4)24(5,22)23/h6-11H,1-5H3,(H,19,21)
InChIKeyTXXBYPYKZPQVKM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.26
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide

N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 50944671) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID50944671
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1
InChIInChI=1S/C18H22N2O3S/c1-12-9-10-13(2)16(11-12)19-18(21)15-7-6-8-17(14(15)3)20(4)24(5,22)23/h6-11H,1-5H3,(H,19,21)
InChIKeyTXXBYPYKZPQVKM-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947524
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001301
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132665014
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 126262288
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)benzamide
CID 100559378
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100516477

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide (CID 50944671) is N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide is Cc1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is TXXBYPYKZPQVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-9-10-13(2)16(11-12)19-18(21)15-7-6-8-17(14(15)3)20(4)24(5,22)23/h6-11H,1-5H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 50944671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).