2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

C16H16ClNOS — CID 846772

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)18-16(19)10-20-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBNJLYHQAHMIJGE-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.69
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 846772) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID846772
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)18-16(19)10-20-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBNJLYHQAHMIJGE-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 846772) is 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is BNJLYHQAHMIJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)18-16(19)10-20-14-7-5-13(17)6-8-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 846772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).