2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

C22H21NOS — CID 893736

IUPAC2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17-9-5-6-12-19(17)15-25-16-22(24)23-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyPPQBFGLPMYIRAT-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.53
Rot. Bonds6

About 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 893736) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID893736
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC Name2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESCc1ccccc1CSCC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17-9-5-6-12-19(17)15-25-16-22(24)23-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyPPQBFGLPMYIRAT-UHFFFAOYSA-N
XLogP5.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (CID 893736) is 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is Cc1ccccc1CSCC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is PPQBFGLPMYIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NOS/c1-17-9-5-6-12-19(17)15-25-16-22(24)23-21-14-8-7-13-20(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 893736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).