2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

C18H13Cl2N3OS — CID 6413005

IUPAC2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)C(c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-11-6-7-13(14(20)10-11)17(18(21)24)15-8-9-16(23-22-15)25-12-4-2-1-3-5-12/h1-10,17H,(H2,21,24)
InChIKeyXNYADOYXLCBLDN-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.55
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide

2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (PubChem CID 6413005) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
PubChem CID6413005
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC Name2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
SMILESNC(=O)C(c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-11-6-7-13(14(20)10-11)17(18(21)24)15-8-9-16(23-22-15)25-12-4-2-1-3-5-12/h1-10,17H,(H2,21,24)
InChIKeyXNYADOYXLCBLDN-UHFFFAOYSA-N
XLogP4.55
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide (CID 6413005) is 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is NC(=O)C(c1ccc(Sc2ccccc2)nn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
The InChIKey is XNYADOYXLCBLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-11-6-7-13(14(20)10-11)17(18(21)24)15-8-9-16(23-22-15)25-12-4-2-1-3-5-12/h1-10,17H,(H2,21,24).
What are the key properties of 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide?
2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide has a molecular weight of 390.30 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide is sourced from PubChem (CID 6413005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).