3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide

C11H15NO2S2 — CID 123688287

IUPAC3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
SMILESCSC(S)CN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO2S2/c1-12(7-10(15)16-2)11(14)8-4-3-5-9(13)6-8/h3-6,10,13,15H,7H2,1-2H3
InChIKeyOZWUOYLCSITPLM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.08
Rot. Bonds4

About 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide

3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide (PubChem CID 123688287) has the molecular formula C11H15NO2S2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
PubChem CID123688287
Molecular FormulaC11H15NO2S2
Molecular Weight257.38 g/mol
Exact Mass257.05
IUPAC Name3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
SMILESCSC(S)CN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO2S2/c1-12(7-10(15)16-2)11(14)8-4-3-5-9(13)6-8/h3-6,10,13,15H,7H2,1-2H3
InChIKeyOZWUOYLCSITPLM-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide 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

N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-hydroxy-N-methylbenzamide
CID 105418511
3-hydroxy-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739062
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide (CID 123688287) is 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide is CSC(S)CN(C)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide?
The InChIKey is OZWUOYLCSITPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S2/c1-12(7-10(15)16-2)11(14)8-4-3-5-9(13)6-8/h3-6,10,13,15H,7H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide?
3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide has a molecular weight of 257.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide is sourced from PubChem (CID 123688287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).