2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide

C16H15F10NO3S2 — CID 155532276

IUPAC2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
SMILESCC(O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C16H15F10NO3S2/c1-16(29,10-30-12-4-8-14(9-5-12)32(22,23,24,25)26)15(28)27-11-2-6-13(7-3-11)31(17,18,19,20)21/h2-9,29H,10H2,1H3,(H,27,28)
InChIKeyITFVUMMIDFJIOY-UHFFFAOYSA-N
MW523.41 g/mol
LogP7.77
Rot. Bonds7

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

2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide (PubChem CID 155532276) has the molecular formula C16H15F10NO3S2 and a molecular weight of 523.41 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
PubChem CID155532276
Molecular FormulaC16H15F10NO3S2
Molecular Weight523.41 g/mol
Exact Mass523.03
IUPAC Name2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
SMILESCC(O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C16H15F10NO3S2/c1-16(29,10-30-12-4-8-14(9-5-12)32(22,23,24,25)26)15(28)27-11-2-6-13(7-3-11)31(17,18,19,20)21/h2-9,29H,10H2,1H3,(H,27,28)
InChIKeyITFVUMMIDFJIOY-UHFFFAOYSA-N
XLogP7.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.41
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 166441361
(2S)-N-(4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 142885777
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
2,2-dimethyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]butanamide
CID 177287967
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[4-[(2,2,2-trifluoroacetyl)amino]phenoxy]propanamide
CID 11294883
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2S)-N-(4-bromo-3-fluorophenyl)-3-(4-bromophenoxy)-2-hydroxy-2-methylpropanamide
CID 59129777
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 58619254
3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-pyridin-2-ylpropanamide
CID 58860966

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide (CID 155532276) is 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide is CC(O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
The InChIKey is ITFVUMMIDFJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F10NO3S2/c1-16(29,10-30-12-4-8-14(9-5-12)32(22,23,24,25)26)15(28)27-11-2-6-13(7-3-11)31(17,18,19,20)21/h2-9,29H,10H2,1H3,(H,27,28).
What are the key properties of 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide?
2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide has a molecular weight of 523.41 g/mol, XLogP of 7.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide is sourced from PubChem (CID 155532276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).