N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide

C18H17FN2O2S — CID 59645509

IUPACN-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(O)CSc2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C18H17FN2O2S/c1-12-9-15(6-3-13(12)10-20)21-17(22)18(2,23)11-24-16-7-4-14(19)5-8-16/h3-9,23H,11H2,1-2H3,(H,21,22)
InChIKeyDXUIRSRYKMSRGO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.49
Rot. Bonds5

About N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide

N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide (PubChem CID 59645509) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
PubChem CID59645509
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)(O)CSc2ccc(F)cc2)ccc1C#N
InChIInChI=1S/C18H17FN2O2S/c1-12-9-15(6-3-13(12)10-20)21-17(22)18(2,23)11-24-16-7-4-14(19)5-8-16/h3-9,23H,11H2,1-2H3,(H,21,22)
InChIKeyDXUIRSRYKMSRGO-UHFFFAOYSA-N
XLogP3.49
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-cyano-3-methylphenyl)-3-[3-(4-fluorophenyl)pyrrol-1-yl]-2-hydroxy-2-methylpropanamide
CID 145417366
3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 14064775
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide
CID 42604835
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 71046957
[(2R)-1-[4-cyano-3-(trifluoromethyl)anilino]-3-(4-fluorophenyl)sulfanyl-2-methyl-1-oxopropan-2-yl]oxymethyl dihydrogen phosphate
CID 143992152
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-(3-isothiocyanatophenyl)sulfanyl-2-methylpropanamide
CID 11797234
3-(4-acetamidopyrazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 155141342
(2S)-3-(benzotriazol-1-yl)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methylpropanamide;1,1,1-trifluoroethane
CID 157246089
(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylbutanamide
CID 130331138
(2R)-2-amino-2-benzyl-N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 70668075
methyl N-[1-[(2S)-3-(4-cyano-3-methylanilino)-2-hydroxy-2-methyl-3-oxopropyl]pyrazol-4-yl]carbamate
CID 155141245
(2S)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide;(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-(4-methylphenoxy)propanamide
CID 161391813

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide (CID 59645509) is N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide is Cc1cc(NC(=O)C(C)(O)CSc2ccc(F)cc2)ccc1C#N.
What is the InChIKey of N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
The InChIKey is DXUIRSRYKMSRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-9-15(6-3-13(12)10-20)21-17(22)18(2,23)11-24-16-7-4-14(19)5-8-16/h3-9,23H,11H2,1-2H3,(H,21,22).
What are the key properties of N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide?
N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide has a molecular weight of 344.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-methylphenyl)-3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 59645509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).