N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide

C19H17N5O3S — CID 53082605

IUPACN-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1OC
InChIInChI=1S/C19H17N5O3S/c1-26-15-8-7-12(9-16(15)27-2)21-17(25)10-28-19-18-23-20-11-24(18)14-6-4-3-5-13(14)22-19/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyLXWBBZVQQRITQU-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.03
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide

N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide (PubChem CID 53082605) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
PubChem CID53082605
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1OC
InChIInChI=1S/C19H17N5O3S/c1-26-15-8-7-12(9-16(15)27-2)21-17(25)10-28-19-18-23-20-11-24(18)14-6-4-3-5-13(14)22-19/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyLXWBBZVQQRITQU-UHFFFAOYSA-N
XLogP3.03
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082592
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082629
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
N-(4-methoxyphenyl)-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53028769
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 43811402
N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424831
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
N-(2,4-dimethoxyphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082670
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide (CID 53082605) is N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide is COc1ccc(NC(=O)CSc2nc3ccccc3n3cnnc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The InChIKey is LXWBBZVQQRITQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-26-15-8-7-12(9-16(15)27-2)21-17(25)10-28-19-18-23-20-11-24(18)14-6-4-3-5-13(14)22-19/h3-9,11H,10H2,1-2H3,(H,21,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide has a molecular weight of 395.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide is sourced from PubChem (CID 53082605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).