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

C23H20N4O2S — CID 16676541

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C23H20N4O2S/c24-18-14-19(20-12-7-13-30-20)26-27(23(18)29)15-21(28)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15,24H2,(H,25,28)
InChIKeyPYJMEVVLIKPHGO-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.46
Rot. Bonds6

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

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide (PubChem CID 16676541) 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-benzhydrylacetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
PubChem CID16676541
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C23H20N4O2S/c24-18-14-19(20-12-7-13-30-20)26-27(23(18)29)15-21(28)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15,24H2,(H,25,28)
InChIKeyPYJMEVVLIKPHGO-UHFFFAOYSA-N
XLogP3.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.46
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-benzhydrylacetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide (CID 16676541) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide is Nc1cc(-c2cccs2)nn(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide?
The InChIKey is PYJMEVVLIKPHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c24-18-14-19(20-12-7-13-30-20)26-27(23(18)29)15-21(28)25-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,22H,15,24H2,(H,25,28).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-benzhydrylacetamide has a molecular weight of 416.51 g/mol, XLogP of 3.46, 6 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-benzhydrylacetamide is sourced from PubChem (CID 16676541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).