2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C18H16ClN3O2S — CID 23612562

IUPAC2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C18H16ClN3O2S/c1-11-4-3-5-12(2)18(11)20-16(23)10-22-17(24)9-6-13(21-22)14-7-8-15(19)25-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyKAZPPZJVHZETRH-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.88
Rot. Bonds4

About 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 23612562) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID23612562
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C18H16ClN3O2S/c1-11-4-3-5-12(2)18(11)20-16(23)10-22-17(24)9-6-13(21-22)14-7-8-15(19)25-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyKAZPPZJVHZETRH-UHFFFAOYSA-N
XLogP3.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 23612562) is 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O.
What is the InChIKey of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is KAZPPZJVHZETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-11-4-3-5-12(2)18(11)20-16(23)10-22-17(24)9-6-13(21-22)14-7-8-15(19)25-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 373.87 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 23612562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).