N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C17H19NO2S — CID 875841

IUPACN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-14(13)11-21-12-17(19)18-15-7-9-16(20-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyLFCNAMBAWYAWIA-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.88
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 875841) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID875841
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2ccccc2C)cc1
InChIInChI=1S/C17H19NO2S/c1-13-5-3-4-6-14(13)11-21-12-17(19)18-15-7-9-16(20-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyLFCNAMBAWYAWIA-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]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 N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 875841) is N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2ccccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is LFCNAMBAWYAWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-13-5-3-4-6-14(13)11-21-12-17(19)18-15-7-9-16(20-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 875841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).