(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C17H13F6NOS — CID 7484755

IUPAC(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NOS/c1-10(26-14-4-2-3-12(9-14)17(21,22)23)15(25)24-13-7-5-11(6-8-13)16(18,19)20/h2-10H,1H3,(H,24,25)/t10-/m0/s1
InChIKeyVCIZMXXXPAXBTK-JTQLQIEISA-N
MW393.35 g/mol
LogP5.84
Rot. Bonds4

About (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 7484755) has the molecular formula C17H13F6NOS and a molecular weight of 393.35 g/mol. Its IUPAC name is (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID7484755
Molecular FormulaC17H13F6NOS
Molecular Weight393.35 g/mol
Exact Mass393.06
IUPAC Name(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESC[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F6NOS/c1-10(26-14-4-2-3-12(9-14)17(21,22)23)15(25)24-13-7-5-11(6-8-13)16(18,19)20/h2-10H,1H3,(H,24,25)/t10-/m0/s1
InChIKeyVCIZMXXXPAXBTK-JTQLQIEISA-N
XLogP5.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.35
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-2-ylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7402921
2-[3-(trifluoromethyl)phenyl]sulfanylpropanehydrazide
CID 63580292
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375
2-[[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785193
(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7468566
3-methoxy-N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 18903236
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
(2R)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 40623023
2-(4-acetamidophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 4968943
3-nitro-N-[4-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]sulfanylphenyl]benzamide
CID 23098947
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 7484755) is (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is C[C@H](Sc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is VCIZMXXXPAXBTK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F6NOS/c1-10(26-14-4-2-3-12(9-14)17(21,22)23)15(25)24-13-7-5-11(6-8-13)16(18,19)20/h2-10H,1H3,(H,24,25)/t10-/m0/s1.
What are the key properties of (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
(2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 393.35 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 7484755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).