2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide

C22H14N6OS2 — CID 87047480

IUPAC2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2cccc3ncccc23)c(C#N)c1-c1cccs1
InChIInChI=1S/C22H14N6OS2/c23-10-14-20(18-7-3-9-30-18)15(11-24)22(28-21(14)25)31-12-19(29)27-17-6-1-5-16-13(17)4-2-8-26-16/h1-9H,12H2,(H2,25,28)(H,27,29)
InChIKeyWLAWTIYYWWFQAV-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.41
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide (PubChem CID 87047480) has the molecular formula C22H14N6OS2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide
PubChem CID87047480
Molecular FormulaC22H14N6OS2
Molecular Weight442.53 g/mol
Exact Mass442.07
IUPAC Name2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2cccc3ncccc23)c(C#N)c1-c1cccs1
InChIInChI=1S/C22H14N6OS2/c23-10-14-20(18-7-3-9-30-18)15(11-24)22(28-21(14)25)31-12-19(29)27-17-6-1-5-16-13(17)4-2-8-26-16/h1-9H,12H2,(H2,25,28)(H,27,29)
InChIKeyWLAWTIYYWWFQAV-UHFFFAOYSA-N
XLogP4.41
TPSA128.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-butan-2-ylphenyl)acetamide
CID 3426939
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-hydroxyphenyl)acetamide
CID 25065638
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)butanamide
CID 23858605
3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043425
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 3969836
2-amino-6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 2216883
3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23945336
2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3142260
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 23743206
2-[(6-amino-3,5-dicyano-4-methyl-2-pyridinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 23007639
3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23861587

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide (CID 87047480) is 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide is N#Cc1c(N)nc(SCC(=O)Nc2cccc3ncccc23)c(C#N)c1-c1cccs1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide?
The InChIKey is WLAWTIYYWWFQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N6OS2/c23-10-14-20(18-7-3-9-30-18)15(11-24)22(28-21(14)25)31-12-19(29)27-17-6-1-5-16-13(17)4-2-8-26-16/h1-9H,12H2,(H2,25,28)(H,27,29).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide?
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide has a molecular weight of 442.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-quinolin-5-ylacetamide is sourced from PubChem (CID 87047480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).