2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

C23H20N6O2S — CID 46305635

IUPAC2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESCCSc1nnc(N)n1CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H20N6O2S/c1-2-32-23-28-27-22(25)29(23)14-18(30)26-21-17(13-24)19(15-9-5-3-6-10-15)20(31-21)16-11-7-4-8-12-16/h3-12H,2,14H2,1H3,(H2,25,27)(H,26,30)
InChIKeyLZIWSUJTVOQZFY-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.41
Rot. Bonds7

About 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide

2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (PubChem CID 46305635) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
PubChem CID46305635
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
SMILESCCSc1nnc(N)n1CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H20N6O2S/c1-2-32-23-28-27-22(25)29(23)14-18(30)26-21-17(13-24)19(15-9-5-3-6-10-15)20(31-21)16-11-7-4-8-12-16/h3-12H,2,14H2,1H3,(H2,25,27)(H,26,30)
InChIKeyLZIWSUJTVOQZFY-UHFFFAOYSA-N
XLogP4.41
TPSA122.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-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-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-quinolin-2-ylsulfanylacetamide
CID 39765916
diethyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 46305637
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23799884
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)butanamide
CID 46303766
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
ethyl 4-acetyl-2-[[2-[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]acetyl]amino]-5-methylfuran-3-carboxylate
CID 46306292
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The IUPAC name of 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide (CID 46305635) is 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is CCSc1nnc(N)n1CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
The InChIKey is LZIWSUJTVOQZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-2-32-23-28-27-22(25)29(23)14-18(30)26-21-17(13-24)19(15-9-5-3-6-10-15)20(31-21)16-11-7-4-8-12-16/h3-12H,2,14H2,1H3,(H2,25,27)(H,26,30).
What are the key properties of 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide?
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide has a molecular weight of 444.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide is sourced from PubChem (CID 46305635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).