2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride

C13H19ClF2N2OS — CID 119669009

IUPAC2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C13H18F2N2OS.ClH/c1-3-8(2)11(16)12(18)17-9-4-6-10(7-5-9)19-13(14)15;/h4-8,11,13H,3,16H2,1-2H3,(H,17,18);1H
InChIKeyJBRDAJLVYKUJJQ-UHFFFAOYSA-N
MW324.82 g/mol
LogP3.73
Rot. Bonds6

About 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119669009) has the molecular formula C13H19ClF2N2OS and a molecular weight of 324.82 g/mol. Its IUPAC name is 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride
PubChem CID119669009
Molecular FormulaC13H19ClF2N2OS
Molecular Weight324.82 g/mol
Exact Mass324.09
IUPAC Name2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(SC(F)F)cc1.Cl
InChIInChI=1S/C13H18F2N2OS.ClH/c1-3-8(2)11(16)12(18)17-9-4-6-10(7-5-9)19-13(14)15;/h4-8,11,13H,3,16H2,1-2H3,(H,17,18);1H
InChIKeyJBRDAJLVYKUJJQ-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;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

2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62851819
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
2-amino-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 119702323
methyl 4-[(2-amino-3-methylpentanoyl)amino]benzoate
CID 61258918
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride (CID 119669009) is 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(SC(F)F)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is JBRDAJLVYKUJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2OS.ClH/c1-3-8(2)11(16)12(18)17-9-4-6-10(7-5-9)19-13(14)15;/h4-8,11,13H,3,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 324.82 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(difluoromethylsulfanyl)phenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).