2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide

C14H20FNO2S — CID 61247211

IUPAC2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-10(2)7-12(8-17)16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyOJFDESAFEARITH-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.44
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (PubChem CID 61247211) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
PubChem CID61247211
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
SMILESCC(C)CC(CO)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C14H20FNO2S/c1-10(2)7-12(8-17)16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)
InChIKeyOJFDESAFEARITH-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide (CID 61247211) is 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is CC(C)CC(CO)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
The InChIKey is OJFDESAFEARITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-10(2)7-12(8-17)16-14(18)9-19-13-5-3-11(15)4-6-13/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide has a molecular weight of 285.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide is sourced from PubChem (CID 61247211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).