N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C16H10Cl4N4OS — CID 56641237

IUPACN-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl4N4OS/c17-9-1-3-13(11(19)5-9)23-15(25)7-26-16-21-8-22-24(16)14-4-2-10(18)6-12(14)20/h1-6,8H,7H2,(H,23,25)
InChIKeyWEBRFNGHBPJQMV-UHFFFAOYSA-N
MW448.16 g/mol
LogP5.61
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 56641237) has the molecular formula C16H10Cl4N4OS and a molecular weight of 448.16 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID56641237
Molecular FormulaC16H10Cl4N4OS
Molecular Weight448.16 g/mol
Exact Mass445.93
IUPAC NameN-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESO=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl4N4OS/c17-9-1-3-13(11(19)5-9)23-15(25)7-26-16-21-8-22-24(16)14-4-2-10(18)6-12(14)20/h1-6,8H,7H2,(H,23,25)
InChIKeyWEBRFNGHBPJQMV-UHFFFAOYSA-N
XLogP5.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.16
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
N-(4-chlorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 712474
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034
N-(4-chlorophenyl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 851334
N-(4-Acetylamino-phenyl)-2-(2-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1096329
N-(3,5-dichlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3935379
2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 56589524
N-(2-chlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56641234
N-(2-bromophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56641236
N-(2-chloro-3-pyridyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 56641238
N-(4-chloro-2-fluorophenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 674817
Cambridge id 7178302
CID 1303785

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 56641237) is N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is WEBRFNGHBPJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl4N4OS/c17-9-1-3-13(11(19)5-9)23-15(25)7-26-16-21-8-22-24(16)14-4-2-10(18)6-12(14)20/h1-6,8H,7H2,(H,23,25).
What are the key properties of N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 448.16 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 56641237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).