2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

C17H16Cl3NO2S — CID 2290637

IUPAC2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO2S/c18-13-3-5-15(6-4-13)23-10-17(22)21-7-8-24-11-12-1-2-14(19)9-16(12)20/h1-6,9H,7-8,10-11H2,(H,21,22)
InChIKeyALEQWEFUOARFAB-UHFFFAOYSA-N
MW404.75 g/mol
LogP5.08
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 2290637) has the molecular formula C17H16Cl3NO2S and a molecular weight of 404.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID2290637
Molecular FormulaC17H16Cl3NO2S
Molecular Weight404.75 g/mol
Exact Mass403.00
IUPAC Name2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO2S/c18-13-3-5-15(6-4-13)23-10-17(22)21-7-8-24-11-12-1-2-14(19)9-16(12)20/h1-6,9H,7-8,10-11H2,(H,21,22)
InChIKeyALEQWEFUOARFAB-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.75
LogP ≤ 55.08
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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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 2283224
2-(4-chlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582665
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-cyanophenoxy)acetamide
CID 7582555
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 9180021
2-(4-chloro-3-methylphenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]butanamide
CID 132673957
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 126180632
(2S)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 99957408
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100621291

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (CID 2290637) is 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is ALEQWEFUOARFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO2S/c18-13-3-5-15(6-4-13)23-10-17(22)21-7-8-24-11-12-1-2-14(19)9-16(12)20/h1-6,9H,7-8,10-11H2,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 404.75 g/mol, XLogP of 5.08, 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-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 2290637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).