2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide

C23H20N4O2S — CID 16676611

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C23H20N4O2S/c1-15(27-23(29)18(24)14-20(26-27)21-12-7-13-30-21)22(28)25-19-11-6-5-10-17(19)16-8-3-2-4-9-16/h2-15H,24H2,1H3,(H,25,28)
InChIKeyUZOASSVEXSFMIL-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.42
Rot. Bonds5

About 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide (PubChem CID 16676611) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide
PubChem CID16676611
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2cccs2)cc(N)c1=O
InChIInChI=1S/C23H20N4O2S/c1-15(27-23(29)18(24)14-20(26-27)21-12-7-13-30-21)22(28)25-19-11-6-5-10-17(19)16-8-3-2-4-9-16/h2-15H,24H2,1H3,(H,25,28)
InChIKeyUZOASSVEXSFMIL-UHFFFAOYSA-N
XLogP4.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide (CID 16676611) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide is CC(C(=O)Nc1ccccc1-c1ccccc1)n1nc(-c2cccs2)cc(N)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide?
The InChIKey is UZOASSVEXSFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15(27-23(29)18(24)14-20(26-27)21-12-7-13-30-21)22(28)25-19-11-6-5-10-17(19)16-8-3-2-4-9-16/h2-15H,24H2,1H3,(H,25,28).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide has a molecular weight of 416.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 16676611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).