2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide

C22H28N2O3S — CID 46778449

IUPAC2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-23(19-13-7-4-8-14-19)22(25)20-15-9-10-16-21(20)24(28(2,26)27)17-18-11-5-3-6-12-18/h3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1-2H3
InChIKeyHBDSYLRGVHSWMM-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.06
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide

2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide (PubChem CID 46778449) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
PubChem CID46778449
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C22H28N2O3S/c1-23(19-13-7-4-8-14-19)22(25)20-15-9-10-16-21(20)24(28(2,26)27)17-18-11-5-3-6-12-18/h3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1-2H3
InChIKeyHBDSYLRGVHSWMM-UHFFFAOYSA-N
XLogP4.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-(2-chloro-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 28575178
2-(2-bromo-N-methylsulfonylanilino)-N-cyclopentyl-N-methylacetamide
CID 43908901
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
2-[benzyl(methylsulfonyl)amino]-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1202343
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6732970
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-cyclohexyl-N-methylbenzamide
CID 30393057

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide (CID 46778449) is 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is HBDSYLRGVHSWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-23(19-13-7-4-8-14-19)22(25)20-15-9-10-16-21(20)24(28(2,26)27)17-18-11-5-3-6-12-18/h3,5-6,9-12,15-16,19H,4,7-8,13-14,17H2,1-2H3.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide?
2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 46778449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).