2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide

C17H19F2N3OS — CID 69436390

IUPAC2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide
SMILESCCCCCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1
InChIInChI=1S/C17H19F2N3OS/c1-2-3-4-10-24-14-9-8-13(21-22-14)16(17(20)23)15-11(18)6-5-7-12(15)19/h5-9,16H,2-4,10H2,1H3,(H2,20,23)
InChIKeyWJQLWSPVMMBONQ-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.65
Rot. Bonds8

About 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide

2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide (PubChem CID 69436390) has the molecular formula C17H19F2N3OS and a molecular weight of 351.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide
PubChem CID69436390
Molecular FormulaC17H19F2N3OS
Molecular Weight351.42 g/mol
Exact Mass351.12
IUPAC Name2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide
SMILESCCCCCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1
InChIInChI=1S/C17H19F2N3OS/c1-2-3-4-10-24-14-9-8-13(21-22-14)16(17(20)23)15-11(18)6-5-7-12(15)19/h5-9,16H,2-4,10H2,1H3,(H2,20,23)
InChIKeyWJQLWSPVMMBONQ-UHFFFAOYSA-N
XLogP3.65
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide (CID 69436390) is 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide is CCCCCSc1ccc(C(C(N)=O)c2c(F)cccc2F)nn1.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is WJQLWSPVMMBONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3OS/c1-2-3-4-10-24-14-9-8-13(21-22-14)16(17(20)23)15-11(18)6-5-7-12(15)19/h5-9,16H,2-4,10H2,1H3,(H2,20,23).
What are the key properties of 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide?
2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 351.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(6-pentylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 69436390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).