4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide

C17H19NO2S — CID 110006835

IUPAC4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CSCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18-17(20)16-8-6-15(7-9-16)12-21-11-14-4-2-13(10-19)3-5-14/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyZSQUDYLLZLODRA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.97
Rot. Bonds6

About 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide

4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide (PubChem CID 110006835) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
PubChem CID110006835
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CSCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-18-17(20)16-8-6-15(7-9-16)12-21-11-14-4-2-13(10-19)3-5-14/h2-9,19H,10-12H2,1H3,(H,18,20)
InChIKeyZSQUDYLLZLODRA-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide 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

3-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006839
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-methylacetamide
CID 83518674
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
[4-(methylcarbamoyl)phenyl]methanesulfinic acid
CID 165455405
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
4-(hydroxymethyl)-N-(trimethylsilylmethyl)benzamide
CID 174748674

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide (CID 110006835) is 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide is CNC(=O)c1ccc(CSCc2ccc(CO)cc2)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide?
The InChIKey is ZSQUDYLLZLODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18-17(20)16-8-6-15(7-9-16)12-21-11-14-4-2-13(10-19)3-5-14/h2-9,19H,10-12H2,1H3,(H,18,20).
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide?
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide is sourced from PubChem (CID 110006835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).