2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H17NOS2 — CID 4229956

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CSCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NOS2/c1-12-4-6-13(7-5-12)10-18-11-15(17)16-9-14-3-2-8-19-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyVQYVGVGRQPQUFB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.61
Rot. Bonds6

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

2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4229956) has the molecular formula C15H17NOS2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4229956
Molecular FormulaC15H17NOS2
Molecular Weight291.44 g/mol
Exact Mass291.08
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CSCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C15H17NOS2/c1-12-4-6-13(7-5-12)10-18-11-15(17)16-9-14-3-2-8-19-14/h2-8H,9-11H2,1H3,(H,16,17)
InChIKeyVQYVGVGRQPQUFB-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)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-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4229956) is 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(CSCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VQYVGVGRQPQUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS2/c1-12-4-6-13(7-5-12)10-18-11-15(17)16-9-14-3-2-8-19-14/h2-8H,9-11H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 3.61, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4229956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).