8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide

C24H21N3O6S — CID 41213186

IUPAC8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)CC)nn4)cc3)c(=O)oc12
InChIInChI=1S/C24H21N3O6S/c1-3-32-20-7-5-6-16-14-18(24(29)33-22(16)20)23(28)25-17-10-8-15(9-11-17)19-12-13-21(27-26-19)34(30,31)4-2/h5-14H,3-4H2,1-2H3,(H,25,28)
InChIKeyLUNQJFIZPQBUQZ-UHFFFAOYSA-N
MW479.51 g/mol
LogP3.69
Rot. Bonds7

About 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide

8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 41213186) has the molecular formula C24H21N3O6S and a molecular weight of 479.51 g/mol. Its IUPAC name is 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID41213186
Molecular FormulaC24H21N3O6S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)CC)nn4)cc3)c(=O)oc12
InChIInChI=1S/C24H21N3O6S/c1-3-32-20-7-5-6-16-14-18(24(29)33-22(16)20)23(28)25-17-10-8-15(9-11-17)19-12-13-21(27-26-19)34(30,31)4-2/h5-14H,3-4H2,1-2H3,(H,25,28)
InChIKeyLUNQJFIZPQBUQZ-UHFFFAOYSA-N
XLogP3.69
TPSA128.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
3-acetyl-8-ethoxychromen-2-one
CID 3266617
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 41241243
N-[3-(4-ethoxy-3-methylphenyl)phenyl]-8-hydroxy-2-oxochromene-3-carboxamide
CID 86650388
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
8-ethoxy-N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2-oxochromene-3-carboxamide
CID 121148570

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide (CID 41213186) is 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccc(-c4ccc(S(=O)(=O)CC)nn4)cc3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is LUNQJFIZPQBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O6S/c1-3-32-20-7-5-6-16-14-18(24(29)33-22(16)20)23(28)25-17-10-8-15(9-11-17)19-12-13-21(27-26-19)34(30,31)4-2/h5-14H,3-4H2,1-2H3,(H,25,28).
What are the key properties of 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide?
8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 479.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 41213186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).