N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C17H14ClN3O2S — CID 6499071

IUPACN-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H14ClN3O2S/c1-11-4-5-12(18)9-14(11)19-16(22)10-21-17(23)7-6-13(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyFCOSKSZVVQBWHJ-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.57
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 6499071) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID6499071
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C17H14ClN3O2S/c1-11-4-5-12(18)9-14(11)19-16(22)10-21-17(23)7-6-13(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22)
InChIKeyFCOSKSZVVQBWHJ-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 6499071) is N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is FCOSKSZVVQBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-4-5-12(18)9-14(11)19-16(22)10-21-17(23)7-6-13(20-21)15-3-2-8-24-15/h2-9H,10H2,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)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 N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 6499071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).