2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide

C15H13Cl2NO2S — CID 2500772

IUPAC2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2S/c1-21-14-5-3-2-4-12(14)18-15(19)9-20-13-7-6-10(16)8-11(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDNDPLKCBLWWJCA-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.73
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide

2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2500772) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2500772
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2NO2S/c1-21-14-5-3-2-4-12(14)18-15(19)9-20-13-7-6-10(16)8-11(13)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDNDPLKCBLWWJCA-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide (CID 2500772) is 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DNDPLKCBLWWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-21-14-5-3-2-4-12(14)18-15(19)9-20-13-7-6-10(16)8-11(13)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 342.25 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2500772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).