2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide

C17H19NO3S — CID 9428221

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H19NO3S/c1-3-21-13-5-7-14(8-6-13)22-11-17(20)18-15-9-4-12(2)10-16(15)19/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyMUNWHTZLCDFWLM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 9428221) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID9428221
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCCOc1ccc(SCC(=O)Nc2ccc(C)cc2O)cc1
InChIInChI=1S/C17H19NO3S/c1-3-21-13-5-7-14(8-6-13)22-11-17(20)18-15-9-4-12(2)10-16(15)19/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyMUNWHTZLCDFWLM-UHFFFAOYSA-N
XLogP3.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide (CID 9428221) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide is CCOc1ccc(SCC(=O)Nc2ccc(C)cc2O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is MUNWHTZLCDFWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-3-21-13-5-7-14(8-6-13)22-11-17(20)18-15-9-4-12(2)10-16(15)19/h4-10,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 9428221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).