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

C17H14ClN3O2S — CID 23612563

IUPAC2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C17H14ClN3O2S/c1-11-4-2-3-5-12(11)19-16(22)10-21-17(23)9-6-13(20-21)14-7-8-15(18)24-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXQFBXTWVFFDBFU-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.57
Rot. Bonds4

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

2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 23612563) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID23612563
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O
InChIInChI=1S/C17H14ClN3O2S/c1-11-4-2-3-5-12(11)19-16(22)10-21-17(23)9-6-13(20-21)14-7-8-15(18)24-14/h2-9H,10H2,1H3,(H,19,22)
InChIKeyXQFBXTWVFFDBFU-UHFFFAOYSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7672039
N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662431
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121050608
N-(4-methylphenyl)-2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7671928
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27262241
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9262048
N-[2-methyl-5-[6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazin-3-yl]phenyl]propanamide
CID 27260731
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methylphenyl)acetamide
CID 1080053

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide (CID 23612563) is 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O.
What is the InChIKey of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is XQFBXTWVFFDBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-4-2-3-5-12(11)19-16(22)10-21-17(23)9-6-13(20-21)14-7-8-15(18)24-14/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of 2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-(5-chlorothiophen-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 359.84 g/mol, XLogP of 3.57, 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-methylphenyl)acetamide is sourced from PubChem (CID 23612563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).