3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide

C16H16FNO2S — CID 7979666

IUPAC3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)10-11)18-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyLARWYUWADSOMCG-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.96
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 7979666) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID7979666
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCSc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)10-11)18-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,18,20)
InChIKeyLARWYUWADSOMCG-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide (CID 7979666) is 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCSc2ccc(F)cc2)c(O)c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is LARWYUWADSOMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-11-2-7-14(15(19)10-11)18-16(20)8-9-21-13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 305.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 7979666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).