2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride

C12H16ClF3N2OS — CID 120588992

IUPAC2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
SMILESCC(N)(C(=O)NCCSC(F)(F)F)c1ccccc1.Cl
InChIInChI=1S/C12H15F3N2OS.ClH/c1-11(16,9-5-3-2-4-6-9)10(18)17-7-8-19-12(13,14)15;/h2-6H,7-8,16H2,1H3,(H,17,18);1H
InChIKeyPNWBUASOEWJFIV-UHFFFAOYSA-N
MW328.79 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride

2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride (PubChem CID 120588992) has the molecular formula C12H16ClF3N2OS and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
PubChem CID120588992
Molecular FormulaC12H16ClF3N2OS
Molecular Weight328.79 g/mol
Exact Mass328.06
IUPAC Name2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride
SMILESCC(N)(C(=O)NCCSC(F)(F)F)c1ccccc1.Cl
InChIInChI=1S/C12H15F3N2OS.ClH/c1-11(16,9-5-3-2-4-6-9)10(18)17-7-8-19-12(13,14)15;/h2-6H,7-8,16H2,1H3,(H,17,18);1H
InChIKeyPNWBUASOEWJFIV-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120588942
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-2-phenyl-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 114187562
2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
CID 120587289
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-N-(2,2-difluoroethyl)-2-phenylpropanamide
CID 115406878
2-amino-N-[2-(methanesulfonamido)ethyl]-2-phenylpropanamide
CID 55078632
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpropanamide;trihydrochloride
CID 120597539

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride (CID 120588992) is 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride is CC(N)(C(=O)NCCSC(F)(F)F)c1ccccc1.Cl.
What is the InChIKey of 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride?
The InChIKey is PNWBUASOEWJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS.ClH/c1-11(16,9-5-3-2-4-6-9)10(18)17-7-8-19-12(13,14)15;/h2-6H,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride?
2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride has a molecular weight of 328.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120588992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).