4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide

C17H18N2O2S — CID 60574288

IUPAC4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12(20)19-15-7-5-14(6-8-15)17(21)18-11-13-3-9-16(22-2)10-4-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCINYPSZJXUKUKI-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.30
Rot. Bonds5

About 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide

4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 60574288) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID60574288
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C17H18N2O2S/c1-12(20)19-15-7-5-14(6-8-15)17(21)18-11-13-3-9-16(22-2)10-4-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCINYPSZJXUKUKI-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]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-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
4-methylsulfanyl-N-[4-[[4-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 43980966
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[(4-acetamidophenyl)methyl]-2-methylsulfanylbenzamide
CID 18153850
4-acetamido-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 110793382
4-(methoxymethyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9153906
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 60574288) is 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is CINYPSZJXUKUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-12(20)19-15-7-5-14(6-8-15)17(21)18-11-13-3-9-16(22-2)10-4-13/h3-10H,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide?
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 60574288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).