(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide

C14H20FNO2S — CID 96566270

IUPAC(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)SC[C@H](C)CO
InChIInChI=1S/C14H20FNO2S/c1-9(7-17)8-19-11(3)14(18)16-13-6-12(15)5-4-10(13)2/h4-6,9,11,17H,7-8H2,1-3H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyWOLHBQLFMPNHSH-KOLCDFICSA-N
MW285.38 g/mol
LogP2.82
Rot. Bonds6

About (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide

(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide (PubChem CID 96566270) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
PubChem CID96566270
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
SMILESCc1ccc(F)cc1NC(=O)[C@H](C)SC[C@H](C)CO
InChIInChI=1S/C14H20FNO2S/c1-9(7-17)8-19-11(3)14(18)16-13-6-12(15)5-4-10(13)2/h4-6,9,11,17H,7-8H2,1-3H3,(H,16,18)/t9-,11+/m1/s1
InChIKeyWOLHBQLFMPNHSH-KOLCDFICSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
(2S)-N-(5-chloro-2-fluorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 95968650
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66105977
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463922
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669822
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
(2R)-2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2,5-dimethylphenyl)propanamide
CID 26633060
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
N-(4-amino-2-methoxyphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66104221

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide (CID 96566270) is (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide is Cc1ccc(F)cc1NC(=O)[C@H](C)SC[C@H](C)CO.
What is the InChIKey of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide?
The InChIKey is WOLHBQLFMPNHSH-KOLCDFICSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-9(7-17)8-19-11(3)14(18)16-13-6-12(15)5-4-10(13)2/h4-6,9,11,17H,7-8H2,1-3H3,(H,16,18)/t9-,11+/m1/s1.
What are the key properties of (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide?
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide has a molecular weight of 285.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide is sourced from PubChem (CID 96566270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).