2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide

C17H17Cl2NO2S — CID 2282212

IUPAC2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2S/c18-14-4-6-16(7-5-14)22-11-17(21)20-8-9-23-12-13-2-1-3-15(19)10-13/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyMGXOUYOJQZHNNW-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.42
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2282212) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2282212
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1
InChIInChI=1S/C17H17Cl2NO2S/c18-14-4-6-16(7-5-14)22-11-17(21)20-8-9-23-12-13-2-1-3-15(19)10-13/h1-7,10H,8-9,11-12H2,(H,20,21)
InChIKeyMGXOUYOJQZHNNW-UHFFFAOYSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide (CID 2282212) is 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is MGXOUYOJQZHNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c18-14-4-6-16(7-5-14)22-11-17(21)20-8-9-23-12-13-2-1-3-15(19)10-13/h1-7,10H,8-9,11-12H2,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 370.30 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2282212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).