(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane

C12H15FN2O2S — CID 143421568

IUPAC(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane
SMILESCC.N#Cc1ccc(SC[C@H](O)C(N)=O)cc1F
InChIInChI=1S/C10H9FN2O2S.C2H6/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15;1-2/h1-3,9,14H,5H2,(H2,13,15);1-2H3/t9-;/m0./s1
InChIKeyFLHKZXQQPPPQMN-FVGYRXGTSA-N
MW270.33 g/mol
LogP1.66
Rot. Bonds4

About (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane

(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane (PubChem CID 143421568) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane.

Molecular Properties

Compound Name(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane
PubChem CID143421568
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane
SMILESCC.N#Cc1ccc(SC[C@H](O)C(N)=O)cc1F
InChIInChI=1S/C10H9FN2O2S.C2H6/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15;1-2/h1-3,9,14H,5H2,(H2,13,15);1-2H3/t9-;/m0./s1
InChIKeyFLHKZXQQPPPQMN-FVGYRXGTSA-N
XLogP1.66
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Cyano-2-fluorophenyl)sulfanyl-2-methylpropanamide
CID 70666047
2-(4-Cyano-2-fluorophenyl)sulfanylpropanamide
CID 71999554
(2S)-2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
CID 97572900
(2R)-2-(4-cyano-2-fluorophenyl)sulfanylpropanamide
CID 97572901
3-Fluoro-4-(3-hydroxybutan-2-ylsulfanyl)benzonitrile
CID 107770608
2-(4-Cyano-2-fluorophenyl)sulfanylacetamide
CID 130160378
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide
CID 143421569
2-Hydroxy-4-(2-methylphenyl)sulfanylbutanamide
CID 68279674
2-Hydroxy-3-(2-methylphenyl)sulfanylpropanamide
CID 154364693
(2S)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]propanamide
CID 10966231
(2S,3R)-2-hydroxy-3-[(R)-(4-methylphenyl)sulfinyl]butanamide
CID 11064553
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylpropanamide
CID 131851093

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane?
The IUPAC name of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane (CID 143421568) is (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane.
What is the SMILES notation for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane?
The canonical SMILES for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane is CC.N#Cc1ccc(SC[C@H](O)C(N)=O)cc1F.
What is the InChIKey of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane?
The InChIKey is FLHKZXQQPPPQMN-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H9FN2O2S.C2H6/c11-8-3-7(2-1-6(8)4-12)16-5-9(14)10(13)15;1-2/h1-3,9,14H,5H2,(H2,13,15);1-2H3/t9-;/m0./s1.
What are the key properties of (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane?
(2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane has a molecular weight of 270.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-cyano-3-fluorophenyl)sulfanyl-2-hydroxypropanamide;ethane is sourced from PubChem (CID 143421568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).