2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride

C15H24ClFN2O3S — CID 119957264

IUPAC2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-22(3,20)21;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeySTNCTHBXIJGEDG-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.40
Rot. Bonds7

About 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride

2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride (PubChem CID 119957264) has the molecular formula C15H24ClFN2O3S and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
PubChem CID119957264
Molecular FormulaC15H24ClFN2O3S
Molecular Weight366.89 g/mol
Exact Mass366.12
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
SMILESCC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-22(3,20)21;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H
InChIKeySTNCTHBXIJGEDG-UHFFFAOYSA-N
XLogP1.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957543
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
(2S)-2-amino-N-[2-methyl-2-(4-methylphenyl)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119318670
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)pentanamide
CID 93398886
(2S)-2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119297358
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methoxypropanamide;hydrochloride
CID 120986999
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride (CID 119957264) is 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride is CC(C)(CNC(=O)C(N)CCS(C)(=O)=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
The InChIKey is STNCTHBXIJGEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S.ClH/c1-15(2,11-4-6-12(16)7-5-11)10-18-14(19)13(17)8-9-22(3,20)21;/h4-7,13H,8-10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride?
2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119957264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).