2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide

C10H11Cl2NO2S — CID 154687729

IUPAC2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCS
InChIInChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
InChIKeyDCPNTZSINCTHRC-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.42
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide

2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide (PubChem CID 154687729) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
PubChem CID154687729
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NCCS
InChIInChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
InChIKeyDCPNTZSINCTHRC-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide (CID 154687729) is 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NCCS.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide?
The InChIKey is DCPNTZSINCTHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-8-2-1-7(5-9(8)12)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide?
2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide has a molecular weight of 280.18 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 154687729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).