2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide

C17H17Cl2NOS2 — CID 2208014

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccccc1
InChIInChI=1S/C17H17Cl2NOS2/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-9-10-23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyIPDYPRLJHOXGMW-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.14
Rot. Bonds8

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 2208014) has the molecular formula C17H17Cl2NOS2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID2208014
Molecular FormulaC17H17Cl2NOS2
Molecular Weight386.37 g/mol
Exact Mass385.01
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccccc1
InChIInChI=1S/C17H17Cl2NOS2/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-9-10-23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyIPDYPRLJHOXGMW-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.14
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

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 2301974
2-(2,6-dichlorophenyl)-N-(2-phenylsulfanylethyl)acetamide
CID 4255523
2-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
3-(4-chlorophenyl)sulfanyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]propanamide
CID 126035220
2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66126582
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2177503
2-(3-aminopropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66217319
N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7489579
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 99950892
2-(2-hydroxyphenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 62000718
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 126031261
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide (CID 2208014) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccccc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is IPDYPRLJHOXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS2/c18-15-7-4-8-16(19)14(15)11-22-12-17(21)20-9-10-23-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 386.37 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 2208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).