2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide

C20H19N5OS2 — CID 53082734

IUPAC2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCc1nnc2c(SCC(=O)Nc3cccc(SC)c3)nc3ccccc3n12
InChIInChI=1S/C20H19N5OS2/c1-3-17-23-24-19-20(22-15-9-4-5-10-16(15)25(17)19)28-12-18(26)21-13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyGULCIYCNRJGJOF-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.29
Rot. Bonds6

About 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide

2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 53082734) has the molecular formula C20H19N5OS2 and a molecular weight of 409.54 g/mol. Its IUPAC name is 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID53082734
Molecular FormulaC20H19N5OS2
Molecular Weight409.54 g/mol
Exact Mass409.10
IUPAC Name2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCCc1nnc2c(SCC(=O)Nc3cccc(SC)c3)nc3ccccc3n12
InChIInChI=1S/C20H19N5OS2/c1-3-17-23-24-19-20(22-15-9-4-5-10-16(15)25(17)19)28-12-18(26)21-13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyGULCIYCNRJGJOF-UHFFFAOYSA-N
XLogP4.29
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide with MolForge

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Related Compounds

2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 53028752
N-(3-acetylphenyl)-2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53028757
N-(3-acetylphenyl)-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082756
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 17028829
N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53043286
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 7907181
N-(4-cyanophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082662
N-butan-2-yl-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082699
N-(3-methylsulfanylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033417
N-(4-methoxyphenyl)-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53028769
N-(4-bromophenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082811
N-[(2R)-butan-2-yl]-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 95071980

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide (CID 53082734) is 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide is CCc1nnc2c(SCC(=O)Nc3cccc(SC)c3)nc3ccccc3n12.
What is the InChIKey of 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is GULCIYCNRJGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS2/c1-3-17-23-24-19-20(22-15-9-4-5-10-16(15)25(17)19)28-12-18(26)21-13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 409.54 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 53082734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).