N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide

C16H16FNO2S — CID 22287299

IUPACN-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc(Sc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-16(2,20)15(19)18-14-9-8-12(10-13(14)17)21-11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeySRTXOEZQFHLZNP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.69
Rot. Bonds4

About N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide

N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 22287299) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID22287299
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC NameN-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1ccc(Sc2ccccc2)cc1F
InChIInChI=1S/C16H16FNO2S/c1-16(2,20)15(19)18-14-9-8-12(10-13(14)17)21-11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeySRTXOEZQFHLZNP-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 5240098
Acetamide, N-(4-(phenylthio)phenyl)-
CID 148713
3,3,3-trifluoro-N-[4-(4-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 10572530
3-chloro-N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2,2-dimethylpropanamide
CID 5104795
Tocris-0882
CID 6604772
N-[4-[(Methylphenylamino)sulfonyl]phenyl]-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide
CID 9930941
3,3,3-trifluoro-N-[4-(3-fluorophenyl)sulfonylphenyl]-2-hydroxy-2-methylpropanamide
CID 10524485
3,3,3-Trifluoro-2-hydroxy-2-methyl-N-[3-(phenylsulfonyl)phenyl]propanamide
CID 10643071
N-[4-(2-Fluorophenylsulfonyl)phenyl]-3,3,3,-trifluoro-2-hydroxy-2-methyl propanamide
CID 10644163
N-[4-(2-Methylphenylsulfonyl)phenyl]-3,3,3,-trifluoro-2-hydroxy-2-methyl propanamide
CID 10667925
3,3,3-trifluoro-2-hydroxy-2-methyl-N-[4-(3-methylphenyl)sulfonylphenyl]propanamide
CID 10667926
N-[3-Methyl-4-(phenylsulfonyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 10810245

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide (CID 22287299) is N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1ccc(Sc2ccccc2)cc1F.
What is the InChIKey of N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is SRTXOEZQFHLZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-16(2,20)15(19)18-14-9-8-12(10-13(14)17)21-11-6-4-3-5-7-11/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide?
N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 305.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-phenylsulfanylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 22287299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).