N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C15H20F3NO2S — CID 99695670

IUPACN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCSC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2S/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyFPZUABZOHGTYKB-AWEZNQCLSA-N
MW335.39 g/mol
LogP2.87
Rot. Bonds7

About N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 99695670) has the molecular formula C15H20F3NO2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID99695670
Molecular FormulaC15H20F3NO2S
Molecular Weight335.39 g/mol
Exact Mass335.12
IUPAC NameN-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCSC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2S/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyFPZUABZOHGTYKB-AWEZNQCLSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 99695670) is N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CSC[C@@](C)(O)CNC(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FPZUABZOHGTYKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3NO2S/c1-14(21,10-22-2)9-19-13(20)8-5-11-3-6-12(7-4-11)15(16,17)18/h3-4,6-7,21H,5,8-10H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 335.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 99695670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).