2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C13H18FNO2S2 — CID 71787191

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S2/c1-13(17,9-18-2)8-15-12(16)7-19-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyGJXSVRGYFXLYJI-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.15
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 71787191) has the molecular formula C13H18FNO2S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID71787191
Molecular FormulaC13H18FNO2S2
Molecular Weight303.42 g/mol
Exact Mass303.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCSCC(C)(O)CNC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S2/c1-13(17,9-18-2)8-15-12(16)7-19-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyGJXSVRGYFXLYJI-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 71787191) is 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CSCC(C)(O)CNC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is GJXSVRGYFXLYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S2/c1-13(17,9-18-2)8-15-12(16)7-19-11-5-3-10(14)4-6-11/h3-6,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 303.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 71787191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).