N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide

C24H16N2OS — CID 11990812

IUPACN-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(-c3cccc4cnccc34)ccc2c1)c1cccs1
InChIInChI=1S/C24H16N2OS/c27-24(23-5-2-12-28-23)26-20-9-8-16-13-18(7-6-17(16)14-20)21-4-1-3-19-15-25-11-10-22(19)21/h1-15H,(H,26,27)
InChIKeyLUAFPHZWTKNURK-UHFFFAOYSA-N
MW380.47 g/mol
LogP6.37
Rot. Bonds3

About N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide

N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide (PubChem CID 11990812) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide
PubChem CID11990812
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC NameN-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2cc(-c3cccc4cnccc34)ccc2c1)c1cccs1
InChIInChI=1S/C24H16N2OS/c27-24(23-5-2-12-28-23)26-20-9-8-16-13-18(7-6-17(16)14-20)21-4-1-3-19-15-25-11-10-22(19)21/h1-15H,(H,26,27)
InChIKeyLUAFPHZWTKNURK-UHFFFAOYSA-N
XLogP6.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide (CID 11990812) is N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide is O=C(Nc1ccc2cc(-c3cccc4cnccc34)ccc2c1)c1cccs1.
What is the InChIKey of N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide?
The InChIKey is LUAFPHZWTKNURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2OS/c27-24(23-5-2-12-28-23)26-20-9-8-16-13-18(7-6-17(16)14-20)21-4-1-3-19-15-25-11-10-22(19)21/h1-15H,(H,26,27).
What are the key properties of N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide?
N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 11990812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).