2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide

C16H16FNO2S — CID 18108974

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)8-11)18-16(20)10-21-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyDYQAQJIQVMDZFY-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.71
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 18108974) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID18108974
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)8-11)18-16(20)10-21-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20)
InChIKeyDYQAQJIQVMDZFY-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide (CID 18108974) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is DYQAQJIQVMDZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)8-11)18-16(20)10-21-9-12-3-5-13(17)6-4-12/h2-8,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 18108974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).