N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide

C17H17Cl2NOS2 — CID 7489579

IUPACN-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(Cl)cccc1Cl)NCCSCc1ccccc1
InChIInChI=1S/C17H17Cl2NOS2/c18-14-7-4-8-15(19)17(14)23-12-16(21)20-9-10-22-11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyQJMJYTYKUAVZQE-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.14
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide

N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide (PubChem CID 7489579) has the molecular formula C17H17Cl2NOS2 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
PubChem CID7489579
Molecular FormulaC17H17Cl2NOS2
Molecular Weight386.37 g/mol
Exact Mass385.01
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1c(Cl)cccc1Cl)NCCSCc1ccccc1
InChIInChI=1S/C17H17Cl2NOS2/c18-14-7-4-8-15(19)17(14)23-12-16(21)20-9-10-22-11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21)
InChIKeyQJMJYTYKUAVZQE-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-benzylsulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 3774392
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 7488695
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 7488699
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
CID 3486493
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylethyl)acetamide
CID 2208014
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 3899059
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2177503
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide (CID 7489579) is N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide is O=C(CSc1c(Cl)cccc1Cl)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
The InChIKey is QJMJYTYKUAVZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NOS2/c18-14-7-4-8-15(19)17(14)23-12-16(21)20-9-10-22-11-13-5-2-1-3-6-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide?
N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide 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 N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 7489579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).