3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride

C17H27ClN2O3S — CID 120611307

IUPAC3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
SMILESCN(C(=O)CCc1ccccc1N)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-19(15-9-5-6-10-16(15)23(2,21)22)17(20)12-11-13-7-3-4-8-14(13)18;/h3-4,7-8,15-16H,5-6,9-12,18H2,1-2H3;1H
InChIKeyPRKDKKGRLVUIDW-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.44
Rot. Bonds5

About 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride (PubChem CID 120611307) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
PubChem CID120611307
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
SMILESCN(C(=O)CCc1ccccc1N)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-19(15-9-5-6-10-16(15)23(2,21)22)17(20)12-11-13-7-3-4-8-14(13)18;/h3-4,7-8,15-16H,5-6,9-12,18H2,1-2H3;1H
InChIKeyPRKDKKGRLVUIDW-UHFFFAOYSA-N
XLogP2.44
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride 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

3-(2-aminophenyl)-N-cycloheptyl-N-methylpropanamide;hydrochloride
CID 120608410
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
CID 119803165
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 96998024
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-ethylpropanamide
CID 63957099
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylpropanamide
CID 55000467
3-(2-aminophenyl)-N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)propanamide;dihydrochloride
CID 120613199
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
3-(2-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide;hydrochloride
CID 120611677

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride (CID 120611307) is 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride is CN(C(=O)CCc1ccccc1N)C1CCCCC1S(C)(=O)=O.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride?
The InChIKey is PRKDKKGRLVUIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-19(15-9-5-6-10-16(15)23(2,21)22)17(20)12-11-13-7-3-4-8-14(13)18;/h3-4,7-8,15-16H,5-6,9-12,18H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120611307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).