2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide

C17H18BrNOS — CID 1336567

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C17H18BrNOS/c1-2-14-7-3-4-9-16(14)19-17(20)12-21-11-13-6-5-8-15(18)10-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyIFHVDKDAMQFLHJ-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.88
Rot. Bonds6

About 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 1336567) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide
PubChem CID1336567
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C17H18BrNOS/c1-2-14-7-3-4-9-16(14)19-17(20)12-21-11-13-6-5-8-15(18)10-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyIFHVDKDAMQFLHJ-UHFFFAOYSA-N
XLogP4.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)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-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide (CID 1336567) is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CSCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide?
The InChIKey is IFHVDKDAMQFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-2-14-7-3-4-9-16(14)19-17(20)12-21-11-13-6-5-8-15(18)10-13/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 364.31 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 1336567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).