N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide

C17H19NO2S — CID 110771215

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C17H19NO2S/c1-20-16-6-4-3-5-14(16)12-18-17(19)11-13-7-9-15(21-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCFQTWVRKQJYMIZ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.28
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 110771215) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
PubChem CID110771215
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccc(SC)cc1
InChIInChI=1S/C17H19NO2S/c1-20-16-6-4-3-5-14(16)12-18-17(19)11-13-7-9-15(21-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCFQTWVRKQJYMIZ-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate
CID 2338048
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide (CID 110771215) is N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide is COc1ccccc1CNC(=O)Cc1ccc(SC)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is CFQTWVRKQJYMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-16-6-4-3-5-14(16)12-18-17(19)11-13-7-9-15(21-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 110771215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).