N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide

C18H22N2O3S — CID 958648

IUPACN-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-5-14-10-8-9-13(2)17(14)19-18(21)15-11-6-7-12-16(15)20(3)24(4,22)23/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyBLNSDAKPBZWAKN-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.21
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide

N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 958648) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID958648
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-5-14-10-8-9-13(2)17(14)19-18(21)15-11-6-7-12-16(15)20(3)24(4,22)23/h6-12H,5H2,1-4H3,(H,19,21)
InChIKeyBLNSDAKPBZWAKN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126335731
2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148952
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18152498
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-chloro-N-(2-ethyl-6-methylphenyl)-5-(methanesulfonamido)benzamide
CID 46770786

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide (CID 958648) is N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide is CCc1cccc(C)c1NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is BLNSDAKPBZWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-14-10-8-9-13(2)17(14)19-18(21)15-11-6-7-12-16(15)20(3)24(4,22)23/h6-12H,5H2,1-4H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide?
N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 958648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).