2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

C18H14FN3OS — CID 21354148

IUPAC2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)C(c1ccc(F)cc1)c1ccc(Sc2ccccc2)nn1
InChIInChI=1S/C18H14FN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)
InChIKeyMTVOFDDGAPTVPH-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (PubChem CID 21354148) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
PubChem CID21354148
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)C(c1ccc(F)cc1)c1ccc(Sc2ccccc2)nn1
InChIInChI=1S/C18H14FN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23)
InChIKeyMTVOFDDGAPTVPH-UHFFFAOYSA-N
XLogP3.38
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (CID 21354148) is 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is NC(=O)C(c1ccc(F)cc1)c1ccc(Sc2ccccc2)nn1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is MTVOFDDGAPTVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-13-8-6-12(7-9-13)17(18(20)23)15-10-11-16(22-21-15)24-14-4-2-1-3-5-14/h1-11,17H,(H2,20,23).
What are the key properties of 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 21354148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).