2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

C15H15Cl2NO2S2 — CID 7582593

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCSCc1cccs1
InChIInChI=1S/C15H15Cl2NO2S2/c16-11-3-4-14(13(17)8-11)20-9-15(19)18-5-7-21-10-12-2-1-6-22-12/h1-4,6,8H,5,7,9-10H2,(H,18,19)
InChIKeyJDIGJELKMREFKB-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.48
Rot. Bonds8

About 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (PubChem CID 7582593) has the molecular formula C15H15Cl2NO2S2 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
PubChem CID7582593
Molecular FormulaC15H15Cl2NO2S2
Molecular Weight376.33 g/mol
Exact Mass374.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCSCc1cccs1
InChIInChI=1S/C15H15Cl2NO2S2/c16-11-3-4-14(13(17)8-11)20-9-15(19)18-5-7-21-10-12-2-1-6-22-12/h1-4,6,8H,5,7,9-10H2,(H,18,19)
InChIKeyJDIGJELKMREFKB-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
2,5-dichloro-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819854
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chlorobenzoate
CID 8860321
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-(2-benzylsulfanylethyl)-2-(2-bromo-4-chlorophenoxy)acetamide
CID 7488647
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717511
2-(2-chloro-4-fluorophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18226871
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide (CID 7582593) is 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCSCc1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
The InChIKey is JDIGJELKMREFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S2/c16-11-3-4-14(13(17)8-11)20-9-15(19)18-5-7-21-10-12-2-1-6-22-12/h1-4,6,8H,5,7,9-10H2,(H,18,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide has a molecular weight of 376.33 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 7582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).