5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide

C16H24N2O3S — CID 120635998

IUPAC5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-11-8-9-12(17)10-13(11)16(19)18(2)14-6-4-5-7-15(14)22(3,20)21/h8-10,14-15H,4-7,17H2,1-3H3
InChIKeyVQVCMJJHUFHICL-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.01
Rot. Bonds3

About 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide

5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide (PubChem CID 120635998) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
PubChem CID120635998
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
SMILESCc1ccc(N)cc1C(=O)N(C)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-11-8-9-12(17)10-13(11)16(19)18(2)14-6-4-5-7-15(14)22(3,20)21/h8-10,14-15H,4-7,17H2,1-3H3
InChIKeyVQVCMJJHUFHICL-UHFFFAOYSA-N
XLogP2.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-N-cyclooctyl-N,2-dimethylbenzamide
CID 120629477
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
CID 71969741
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
5-bromo-2-chloro-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]benzamide
CID 96510560
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
5-amino-N-(2-cyclohexylethyl)-N,2-dimethylbenzamide
CID 120629879
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 125119082

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide (CID 120635998) is 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide is Cc1ccc(N)cc1C(=O)N(C)C1CCCCC1S(C)(=O)=O.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide?
The InChIKey is VQVCMJJHUFHICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-8-9-12(17)10-13(11)16(19)18(2)14-6-4-5-7-15(14)22(3,20)21/h8-10,14-15H,4-7,17H2,1-3H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide?
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide has a molecular weight of 324.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide is sourced from PubChem (CID 120635998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).