2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide

C12H16FNO2S — CID 95984091

IUPAC2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@@](C)(O)CNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-12(16,8-17-2)7-14-11(15)9-5-3-4-6-10(9)13/h3-6,16H,7-8H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyICGMZPAZDIAWJM-LBPRGKRZSA-N
MW257.33 g/mol
LogP1.67
Rot. Bonds5

About 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide

2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide (PubChem CID 95984091) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
PubChem CID95984091
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide
SMILESCSC[C@@](C)(O)CNC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2S/c1-12(16,8-17-2)7-14-11(15)9-5-3-4-6-10(9)13/h3-6,16H,7-8H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyICGMZPAZDIAWJM-LBPRGKRZSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide (CID 95984091) is 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide is CSC[C@@](C)(O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
The InChIKey is ICGMZPAZDIAWJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-12(16,8-17-2)7-14-11(15)9-5-3-4-6-10(9)13/h3-6,16H,7-8H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide?
2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide has a molecular weight of 257.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]benzamide is sourced from PubChem (CID 95984091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).