2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide

C22H22N2O3S — CID 86872640

IUPAC2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C22H22N2O3S/c1-24(19-11-4-3-5-12-19)21-14-7-6-13-20(21)22(25)23-18-10-8-9-17(15-18)16-28(2,26)27/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyRPGAWWRQXXQJOV-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.25
Rot. Bonds6

About 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide

2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide (PubChem CID 86872640) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
PubChem CID86872640
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
SMILESCN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(CS(C)(=O)=O)c1
InChIInChI=1S/C22H22N2O3S/c1-24(19-11-4-3-5-12-19)21-14-7-6-13-20(21)22(25)23-18-10-8-9-17(15-18)16-28(2,26)27/h3-15H,16H2,1-2H3,(H,23,25)
InChIKeyRPGAWWRQXXQJOV-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
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2-[methyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1304606
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
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CID 1006900
2-[(methylsulfonyl)amino]-N-[2-(phenylthio)ethyl]benzamide
CID 2234045
N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
CID 8900561
2-[(cyclohexylcarbonyl)amino]-N-(3-methylphenyl)benzamide
CID 1511185
Benzamide, 2-((2,3-dimethylphenyl)amino)-N-phenyl-
CID 210193
2-benzamido-N-benzylbenzamide
CID 724169
N-(4-methylbenzyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 971648

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide?
The IUPAC name of 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide (CID 86872640) is 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide?
The canonical SMILES for 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide is CN(c1ccccc1)c1ccccc1C(=O)Nc1cccc(CS(C)(=O)=O)c1.
What is the InChIKey of 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide?
The InChIKey is RPGAWWRQXXQJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-24(19-11-4-3-5-12-19)21-14-7-6-13-20(21)22(25)23-18-10-8-9-17(15-18)16-28(2,26)27/h3-15H,16H2,1-2H3,(H,23,25).
What are the key properties of 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide?
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide is sourced from PubChem (CID 86872640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).