2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide

C11H15NO2S — CID 53279533

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C11H15NO2S/c1-12-11(13)8-15-7-9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyXVMLEDWIZJJFJL-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.67
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide

2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide (PubChem CID 53279533) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
PubChem CID53279533
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
SMILESCNC(=O)CSCc1ccc(OC)cc1
InChIInChI=1S/C11H15NO2S/c1-12-11(13)8-15-7-9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKeyXVMLEDWIZJJFJL-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide 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-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-(2-methoxyethyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279569
2-[(4-methoxyphenyl)methylsulfanyl]acetyl chloride
CID 13273375
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
2-[(4-bromophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2971850
N-[[4-(dimethylamino)phenyl]methyl]-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53278903
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 989309
N-methyl-2-[(4-propan-2-ylsulfanylphenyl)methylsulfanyl]acetamide
CID 75452413
2-[(4-carbamothioylphenyl)methylsulfanyl]-N-methylacetamide
CID 82178528
2-[(4-methoxyphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46766994

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide (CID 53279533) is 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide is CNC(=O)CSCc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
The InChIKey is XVMLEDWIZJJFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12-11(13)8-15-7-9-3-5-10(14-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide?
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide has a molecular weight of 225.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide is sourced from PubChem (CID 53279533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).