3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride

C17H27ClN2O3S — CID 119802914

IUPAC3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC1CCC(S(C)(=O)=O)CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-12(16(18)13-6-4-3-5-7-13)17(20)19-14-8-10-15(11-9-14)23(2,21)22;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeySIFGINYTEKNEIN-UHFFFAOYSA-N
MW374.93 g/mol
LogP2.22
Rot. Bonds5

About 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119802914) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119802914
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Name3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NC1CCC(S(C)(=O)=O)CC1)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-12(16(18)13-6-4-3-5-7-13)17(20)19-14-8-10-15(11-9-14)23(2,21)22;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H
InChIKeySIFGINYTEKNEIN-UHFFFAOYSA-N
XLogP2.22
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;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-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119783067
3-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methyl-3-phenylpropanamide
CID 119900314
N-(4-aminocyclohexyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119474856

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 119802914) is 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride is CC(C(=O)NC1CCC(S(C)(=O)=O)CC1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is SIFGINYTEKNEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-12(16(18)13-6-4-3-5-7-13)17(20)19-14-8-10-15(11-9-14)23(2,21)22;/h3-7,12,14-16H,8-11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119802914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).