N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide

C16H23NO3S — CID 25482097

IUPACN-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
SMILESCC1CCC(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-12-4-8-14(9-5-12)17(2)16(18)13-6-10-15(11-7-13)21(3,19)20/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyJOBUGWAMZQQYMN-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.74
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide

N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide (PubChem CID 25482097) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
PubChem CID25482097
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
SMILESCC1CCC(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C16H23NO3S/c1-12-4-8-14(9-5-12)17(2)16(18)13-6-10-15(11-7-13)21(3,19)20/h6-7,10-12,14H,4-5,8-9H2,1-3H3
InChIKeyJOBUGWAMZQQYMN-UHFFFAOYSA-N
XLogP2.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026117
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-(2-chloroethyl)-N-cyclopropyl-4-methylsulfonylbenzamide
CID 63394709
N-methyl-N-(4-methylcyclohexyl)-3,5-dinitrobenzamide
CID 32919661
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-4-methylsulfonylbenzamide
CID 25493349
N,3-dimethyl-N-(4-methylcyclohexyl)-4-nitrobenzamide
CID 27859420
5-[methyl-(4-methylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 60725247
N-methyl-N-(4-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998500
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide (CID 25482097) is N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide is CC1CCC(N(C)C(=O)c2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
The InChIKey is JOBUGWAMZQQYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-4-8-14(9-5-12)17(2)16(18)13-6-10-15(11-7-13)21(3,19)20/h6-7,10-12,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide?
N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide has a molecular weight of 309.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 25482097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).