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

C22H18N4O2S — CID 16676545

IUPAC2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2-c2ccccc2)c1=O
InChIInChI=1S/C22H18N4O2S/c23-17-13-19(20-11-6-12-29-20)25-26(22(17)28)14-21(27)24-18-10-5-4-9-16(18)15-7-2-1-3-8-15/h1-13H,14,23H2,(H,24,27)
InChIKeyKYYAEULLVSHGDC-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.86
Rot. Bonds5

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

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide (PubChem CID 16676545) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
PubChem CID16676545
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
SMILESNc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2-c2ccccc2)c1=O
InChIInChI=1S/C22H18N4O2S/c23-17-13-19(20-11-6-12-29-20)25-26(22(17)28)14-21(27)24-18-10-5-4-9-16(18)15-7-2-1-3-8-15/h1-13H,14,23H2,(H,24,27)
InChIKeyKYYAEULLVSHGDC-UHFFFAOYSA-N
XLogP3.86
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.86
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)acetamide?
The IUPAC name of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide (CID 16676545) is 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide is Nc1cc(-c2cccs2)nn(CC(=O)Nc2ccccc2-c2ccccc2)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide?
The InChIKey is KYYAEULLVSHGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c23-17-13-19(20-11-6-12-29-20)25-26(22(17)28)14-21(27)24-18-10-5-4-9-16(18)15-7-2-1-3-8-15/h1-13H,14,23H2,(H,24,27).
What are the key properties of 2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide?
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 3.86, 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)acetamide is sourced from PubChem (CID 16676545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).