3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide

C15H21F3N2OS — CID 97324001

IUPAC3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCSC[C@H](C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c1-11(10-22-3)20(2)9-8-14(21)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,11H,8-10H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyBFSIVHGTBAEFAP-NSHDSACASA-N
MW334.41 g/mol
LogP3.72
Rot. Bonds7

About 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 97324001) has the molecular formula C15H21F3N2OS and a molecular weight of 334.41 g/mol. Its IUPAC name is 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID97324001
Molecular FormulaC15H21F3N2OS
Molecular Weight334.41 g/mol
Exact Mass334.13
IUPAC Name3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCSC[C@H](C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2OS/c1-11(10-22-3)20(2)9-8-14(21)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,11H,8-10H2,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyBFSIVHGTBAEFAP-NSHDSACASA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 24589134
N-(2-amino-4-fluorophenyl)-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985452
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanoic acid
CID 119913712
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
3-[acetyl(benzyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113118316
N-(4-acetylphenyl)-3-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 55482287
3-[octyl-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]amino]-N-phenylpropanamide
CID 155547152
N-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]butanamide
CID 91566121
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
2-[methyl-[2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-2-oxoethyl]amino]propanoic acid
CID 119913186

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 97324001) is 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide is CSC[C@H](C)N(C)CCC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BFSIVHGTBAEFAP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N2OS/c1-11(10-22-3)20(2)9-8-14(21)19-13-7-5-4-6-12(13)15(16,17)18/h4-7,11H,8-10H2,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 334.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97324001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).