2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride

C18H28ClFN2O3S — CID 119956961

IUPAC2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1(c2cccc(F)c2)CCCCC1.Cl
InChIInChI=1S/C18H27FN2O3S.ClH/c1-25(23,24)11-8-16(20)17(22)21-13-18(9-3-2-4-10-18)14-6-5-7-15(19)12-14;/h5-7,12,16H,2-4,8-11,13,20H2,1H3,(H,21,22);1H
InChIKeyASAFFQCYSPSUTP-UHFFFAOYSA-N
MW406.95 g/mol
LogP2.33
Rot. Bonds7

About 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride

2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119956961) has the molecular formula C18H28ClFN2O3S and a molecular weight of 406.95 g/mol. Its IUPAC name is 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119956961
Molecular FormulaC18H28ClFN2O3S
Molecular Weight406.95 g/mol
Exact Mass406.15
IUPAC Name2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1(c2cccc(F)c2)CCCCC1.Cl
InChIInChI=1S/C18H27FN2O3S.ClH/c1-25(23,24)11-8-16(20)17(22)21-13-18(9-3-2-4-10-18)14-6-5-7-15(19)12-14;/h5-7,12,16H,2-4,8-11,13,20H2,1H3,(H,21,22);1H
InChIKeyASAFFQCYSPSUTP-UHFFFAOYSA-N
XLogP2.33
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;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

(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
(2S)-2-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119315991
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957543
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4-methylsulfonylbutanamide
CID 65106258
benzyl N-[4-methylsulfonyl-1-oxo-1-[(1-phenylcyclopentyl)methylamino]butan-2-yl]carbamate
CID 55700199
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2R)-2-amino-N-[(1-phenylcycloheptyl)methyl]propanamide;hydrochloride
CID 119316389
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
2-amino-N-[(1-phenylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119276377
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride (CID 119956961) is 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride is CS(=O)(=O)CCC(N)C(=O)NCC1(c2cccc(F)c2)CCCCC1.Cl.
What is the InChIKey of 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is ASAFFQCYSPSUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S.ClH/c1-25(23,24)11-8-16(20)17(22)21-13-18(9-3-2-4-10-18)14-6-5-7-15(19)12-14;/h5-7,12,16H,2-4,8-11,13,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119956961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).