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

C17H12BrN5OS — CID 53082592

IUPACN-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-16-22-19-10-23(16)14-4-2-1-3-13(14)21-17/h1-8,10H,9H2,(H,20,24)
InChIKeyOYTLYNGOWQBBGX-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.77
Rot. Bonds4

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

N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide (PubChem CID 53082592) has the molecular formula C17H12BrN5OS and a molecular weight of 414.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
PubChem CID53082592
Molecular FormulaC17H12BrN5OS
Molecular Weight414.29 g/mol
Exact Mass412.99
IUPAC NameN-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Br)cc1
InChIInChI=1S/C17H12BrN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-16-22-19-10-23(16)14-4-2-1-3-13(14)21-17/h1-8,10H,9H2,(H,20,24)
InChIKeyOYTLYNGOWQBBGX-UHFFFAOYSA-N
XLogP3.77
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082605
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide
CID 53082629
N-(4-bromophenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082811
N-(4-acetylphenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53043286
N-(4-cyanophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082662
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-thiophen-2-ylsulfanylacetamide
CID 3334524
2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 53028752
N-(2-bromophenyl)-2-[(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082809
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 112777647

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide (CID 53082592) is N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2n2cnnc12)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
The InChIKey is OYTLYNGOWQBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5OS/c18-11-5-7-12(8-6-11)20-15(24)9-25-17-16-22-19-10-23(16)14-4-2-1-3-13(14)21-17/h1-8,10H,9H2,(H,20,24).
What are the key properties of N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide?
N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide has a molecular weight of 414.29 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylsulfanyl)acetamide is sourced from PubChem (CID 53082592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).