2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride

C16H25ClN2O3S — CID 119803165

IUPAC2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-18(14-5-3-4-6-15(14)22(2,20)21)16(19)11-12-7-9-13(17)10-8-12;/h7-10,14-15H,3-6,11,17H2,1-2H3;1H
InChIKeyRGDBOTKILFEPNO-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride

2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride (PubChem CID 119803165) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
PubChem CID119803165
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride
SMILESCN(C(=O)Cc1ccc(N)cc1)C1CCCCC1S(C)(=O)=O.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-18(14-5-3-4-6-15(14)22(2,20)21)16(19)11-12-7-9-13(17)10-8-12;/h7-10,14-15H,3-6,11,17H2,1-2H3;1H
InChIKeyRGDBOTKILFEPNO-UHFFFAOYSA-N
XLogP2.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)propanamide;hydrochloride
CID 120611307
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
5-amino-N,2-dimethyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 120635998
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1,3-dihydroisoindol-2-yl)-N-methyl-N-[(1R,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 96998024
4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 54611509
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
3-amino-N-methyl-N-(2-methylsulfonylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119803169

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride (CID 119803165) is 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride is CN(C(=O)Cc1ccc(N)cc1)C1CCCCC1S(C)(=O)=O.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride?
The InChIKey is RGDBOTKILFEPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-18(14-5-3-4-6-15(14)22(2,20)21)16(19)11-12-7-9-13(17)10-8-12;/h7-10,14-15H,3-6,11,17H2,1-2H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride?
2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)acetamide;hydrochloride is sourced from PubChem (CID 119803165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).