N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide

C16H15Cl2NO2S — CID 621784

IUPACN-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide
SMILESO=C(CSCCOc1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-12-6-7-15(14(18)10-12)19-16(20)11-22-9-8-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyIGVYWFPBBXMOCZ-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.74
Rot. Bonds7

About N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide

N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide (PubChem CID 621784) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide
PubChem CID621784
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC NameN-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide
SMILESO=C(CSCCOc1ccccc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c17-12-6-7-15(14(18)10-12)19-16(20)11-22-9-8-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20)
InChIKeyIGVYWFPBBXMOCZ-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.74
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-chlorophenyl)-2-phenoxyacetamide
CID 309534
N-(2,4-dichlorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 725082
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
2-(4-Chlorophenoxy)-n-(2-chlorophenyl)acetamide
CID 234244
Phenyl N-(2,4-dichlorophenyl)carbamate
CID 5098721
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1486413
N-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)sulfinyl]acetamide
CID 1488223
N-(4-chlorophenyl)-2-phenoxyacetamide
CID 309561
2-(4-chlorophenoxy)-N-(4-chlorophenyl)acetamide
CID 295219
N-(2-chlorophenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386606
N-(2,4-dichlorophenyl)-2-phenoxyacetamide
CID 854434
N-(4-chlorophenyl)-3-(4-fluorophenoxy)propanamide
CID 2739501

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide (CID 621784) is N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide is O=C(CSCCOc1ccccc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide?
The InChIKey is IGVYWFPBBXMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c17-12-6-7-15(14(18)10-12)19-16(20)11-22-9-8-21-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,19,20).
What are the key properties of N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide?
N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide has a molecular weight of 356.27 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-(2-phenoxyethylsulfanyl)acetamide is sourced from PubChem (CID 621784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).