8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide

C22H19N3O5S — CID 41246831

IUPAC8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCOc3ccc(-c4cccs4)nn3)c(=O)oc12
InChIInChI=1S/C22H19N3O5S/c1-2-28-17-6-3-5-14-13-15(22(27)30-20(14)17)21(26)23-10-11-29-19-9-8-16(24-25-19)18-7-4-12-31-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,26)
InChIKeyIUBPLYAAMTZMHB-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.52
Rot. Bonds8

About 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide

8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide (PubChem CID 41246831) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
PubChem CID41246831
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC Name8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCCOc3ccc(-c4cccs4)nn3)c(=O)oc12
InChIInChI=1S/C22H19N3O5S/c1-2-28-17-6-3-5-14-13-15(22(27)30-20(14)17)21(26)23-10-11-29-19-9-8-16(24-25-19)18-7-4-12-31-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,26)
InChIKeyIUBPLYAAMTZMHB-UHFFFAOYSA-N
XLogP3.52
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
4,5-dimethoxy-2-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246788
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570
2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246633

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide (CID 41246831) is 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCCOc3ccc(-c4cccs4)nn3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide?
The InChIKey is IUBPLYAAMTZMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-2-28-17-6-3-5-14-13-15(22(27)30-20(14)17)21(26)23-10-11-29-19-9-8-16(24-25-19)18-7-4-12-31-18/h3-9,12-13H,2,10-11H2,1H3,(H,23,26).
What are the key properties of 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide?
8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]chromene-3-carboxamide is sourced from PubChem (CID 41246831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).