2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane

C13H19Cl2NOS — CID 156878185

IUPAC2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane
SMILESCC.CSCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NOS.C2H6/c1-16-5-4-14-11(15)7-8-2-3-9(12)10(13)6-8;1-2/h2-3,6H,4-5,7H2,1H3,(H,14,15);1-2H3
InChIKeyARERMRCPVSTJJK-UHFFFAOYSA-N
MW308.27 g/mol
LogP4.04
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane

2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane (PubChem CID 156878185) has the molecular formula C13H19Cl2NOS and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane
PubChem CID156878185
Molecular FormulaC13H19Cl2NOS
Molecular Weight308.27 g/mol
Exact Mass307.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane
SMILESCC.CSCCNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2NOS.C2H6/c1-16-5-4-14-11(15)7-8-2-3-9(12)10(13)6-8;1-2/h2-3,6H,4-5,7H2,1H3,(H,14,15);1-2H3
InChIKeyARERMRCPVSTJJK-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane (CID 156878185) is 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane is CC.CSCCNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane?
The InChIKey is ARERMRCPVSTJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS.C2H6/c1-16-5-4-14-11(15)7-8-2-3-9(12)10(13)6-8;1-2/h2-3,6H,4-5,7H2,1H3,(H,14,15);1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane?
2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane has a molecular weight of 308.27 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-methylsulfanylethyl)acetamide;ethane is sourced from PubChem (CID 156878185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).