2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

C17H15F8NO2S2 — CID 155528409

IUPAC2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C17H15F8NO2S2/c1-16(28,10-29-13-4-2-3-11(9-13)17(18,19)20)15(27)26-12-5-7-14(8-6-12)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27)
InChIKeyNJCSFJOBHCINAR-UHFFFAOYSA-N
MW481.43 g/mol
LogP6.84
Rot. Bonds6

About 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide

2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (PubChem CID 155528409) has the molecular formula C17H15F8NO2S2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
PubChem CID155528409
Molecular FormulaC17H15F8NO2S2
Molecular Weight481.43 g/mol
Exact Mass481.04
IUPAC Name2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
SMILESCC(O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C17H15F8NO2S2/c1-16(28,10-29-13-4-2-3-11(9-13)17(18,19)20)15(27)26-12-5-7-14(8-6-12)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27)
InChIKeyNJCSFJOBHCINAR-UHFFFAOYSA-N
XLogP6.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide (CID 155528409) is 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is CC(O)(CSc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
The InChIKey is NJCSFJOBHCINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F8NO2S2/c1-16(28,10-29-13-4-2-3-11(9-13)17(18,19)20)15(27)26-12-5-7-14(8-6-12)30(21,22,23,24)25/h2-9,28H,10H2,1H3,(H,26,27).
What are the key properties of 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide?
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide has a molecular weight of 481.43 g/mol, XLogP of 6.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 155528409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).