N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

C23H16ClN5O2S — CID 50786003

IUPACN-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESO=C(Cn1nc2c(Sc3ccccc3)nc3ccccc3n2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H16ClN5O2S/c24-15-7-6-8-16(13-15)25-20(30)14-28-23(31)29-19-12-5-4-11-18(19)26-22(21(29)27-28)32-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,30)
InChIKeyFNFMGROTHOKIRJ-UHFFFAOYSA-N
MW461.93 g/mol
LogP4.49
Rot. Bonds5

About N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 50786003) has the molecular formula C23H16ClN5O2S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID50786003
Molecular FormulaC23H16ClN5O2S
Molecular Weight461.93 g/mol
Exact Mass461.07
IUPAC NameN-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESO=C(Cn1nc2c(Sc3ccccc3)nc3ccccc3n2c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H16ClN5O2S/c24-15-7-6-8-16(13-15)25-20(30)14-28-23(31)29-19-12-5-4-11-18(19)26-22(21(29)27-28)32-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,30)
InChIKeyFNFMGROTHOKIRJ-UHFFFAOYSA-N
XLogP4.49
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 46329698
2-[4-(3-methoxyphenyl)sulfanyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-phenylacetamide
CID 50785881
N-(3-chlorophenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787789
N-(3-chlorophenyl)-2-(3-oxo-6-phenylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
CID 50785524
2-(9-chloro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 53020107
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-chlorophenyl)acetamide
CID 2967063
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 50787806
N-(3-chlorophenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787812
N-(3-cyanophenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028522
N-[2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]propanamide
CID 50812888
N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028465
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 50786003) is N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is O=C(Cn1nc2c(Sc3ccccc3)nc3ccccc3n2c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is FNFMGROTHOKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2S/c24-15-7-6-8-16(13-15)25-20(30)14-28-23(31)29-19-12-5-4-11-18(19)26-22(21(29)27-28)32-17-9-2-1-3-10-17/h1-13H,14H2,(H,25,30).
What are the key properties of N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 461.93 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 50786003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).