2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide

C17H19NOS2 — CID 848413

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C17H19NOS2/c1-13-7-9-14(10-8-13)11-21-12-17(19)18-15-5-3-4-6-16(15)20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCILYCMSMHNLARX-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.59
Rot. Bonds6

About 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 848413) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID848413
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C17H19NOS2/c1-13-7-9-14(10-8-13)11-21-12-17(19)18-15-5-3-4-6-16(15)20-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyCILYCMSMHNLARX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methylsulfanyl]-N-(2-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

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
ST094272
CID 646061
2-Acetamidophenyl phenyl sulfide
CID 365383
2-(benzylthio)-N-phenylacetamide
CID 584914
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CID 389490
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
2-phenyl-4H-1,4-benzothiazin-3-one
CID 234768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide (CID 848413) is 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is CILYCMSMHNLARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-13-7-9-14(10-8-13)11-21-12-17(19)18-15-5-3-4-6-16(15)20-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 317.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 848413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).