N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide

C21H14FN3O2S — CID 133288175

IUPACN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1)c1ccsc1
InChIInChI=1S/C21H14FN3O2S/c22-16-3-1-14(2-4-16)19-9-10-20(25-24-19)27-18-7-5-17(6-8-18)23-21(26)15-11-12-28-13-15/h1-13H,(H,23,26)
InChIKeyWKNHXALGTJSKEP-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide

N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide (PubChem CID 133288175) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide
PubChem CID133288175
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC NameN-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1)c1ccsc1
InChIInChI=1S/C21H14FN3O2S/c22-16-3-1-14(2-4-16)19-9-10-20(25-24-19)27-18-7-5-17(6-8-18)23-21(26)15-11-12-28-13-15/h1-13H,(H,23,26)
InChIKeyWKNHXALGTJSKEP-UHFFFAOYSA-N
XLogP5.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286232
N-[4-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]thiophene-3-carboxamide
CID 133372305
N-cyclopentyl-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide
CID 46386967
N-[4-(2-cyano-3-fluorophenoxy)phenyl]thiophene-3-carboxamide
CID 133288211
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
6-[4-(4-fluorobenzoyl)phenoxy]-N-phenylpyridazine-3-carboxamide
CID 133313243
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122309355
3-(4-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307912

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide (CID 133288175) is N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide is O=C(Nc1ccc(Oc2ccc(-c3ccc(F)cc3)nn2)cc1)c1ccsc1.
What is the InChIKey of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide?
The InChIKey is WKNHXALGTJSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-16-3-1-14(2-4-16)19-9-10-20(25-24-19)27-18-7-5-17(6-8-18)23-21(26)15-11-12-28-13-15/h1-13H,(H,23,26).
What are the key properties of N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide?
N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-fluorophenyl)pyridazin-3-yl]oxyphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 133288175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).