2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide

C16H15Cl2NOS2 — CID 46771851

IUPAC2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NOS2/c1-21-13-4-2-3-12(8-13)19-16(20)10-22-9-11-5-6-14(17)15(18)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyCLSIRAJCBYTVPH-UHFFFAOYSA-N
MW372.34 g/mol
LogP5.59
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 46771851) has the molecular formula C16H15Cl2NOS2 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID46771851
Molecular FormulaC16H15Cl2NOS2
Molecular Weight372.34 g/mol
Exact Mass371.00
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NOS2/c1-21-13-4-2-3-12(8-13)19-16(20)10-22-9-11-5-6-14(17)15(18)7-11/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyCLSIRAJCBYTVPH-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.34
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
N-(3-chloro-2-methylphenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309878
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 46686164
2-butylsulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 112781325
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102555
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-[4-(tert-butylsulfamoyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309965
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide (CID 46771851) is 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is CLSIRAJCBYTVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NOS2/c1-21-13-4-2-3-12(8-13)19-16(20)10-22-9-11-5-6-14(17)15(18)7-11/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 372.34 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 46771851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).