N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide

C17H15N3O2S — CID 7422527

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3cccs3)c2)nn1
InChIInChI=1S/C17H15N3O2S/c1-2-22-16-9-8-14(19-20-16)12-5-3-6-13(11-12)18-17(21)15-7-4-10-23-15/h3-11H,2H2,1H3,(H,18,21)
InChIKeyRGBYGFWMMKGXCU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.86
Rot. Bonds5

About N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide

N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 7422527) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID7422527
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCCOc1ccc(-c2cccc(NC(=O)c3cccs3)c2)nn1
InChIInChI=1S/C17H15N3O2S/c1-2-22-16-9-8-14(19-20-16)12-5-3-6-13(11-12)18-17(21)15-7-4-10-23-15/h3-11H,2H2,1H3,(H,18,21)
InChIKeyRGBYGFWMMKGXCU-UHFFFAOYSA-N
XLogP3.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenylpyridazin-3-yl thiophene-2-carboxylate
CID 6403448
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 7207115
N-(3,5-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207118
N-(4-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207172
N-(4-ethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 6623955
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593509
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7207113
2-[[6-(2-furanyl)-3-pyridazinyl]thio]-N-(3-methylphenyl)acetamide
CID 7207114
N-(2,3-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207117
N-(2,5-dimethylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207119
N-(3-acetylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7207250
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,4-difluorobenzamide
CID 7593643

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide (CID 7422527) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide is CCOc1ccc(-c2cccc(NC(=O)c3cccs3)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is RGBYGFWMMKGXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-22-16-9-8-14(19-20-16)12-5-3-6-13(11-12)18-17(21)15-7-4-10-23-15/h3-11H,2H2,1H3,(H,18,21).
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 7422527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).