2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H14F3N3O2S — CID 121076702

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-6-3-2-5-12(13)18(19,20)21)24-16(25)9-8-14(23-24)15-7-4-10-27-15/h2-11H,1H3,(H,22,26)
InChIKeyZHLQHIVFUQNQEU-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.19
Rot. Bonds4

About 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 121076702) has the molecular formula C18H14F3N3O2S and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID121076702
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-6-3-2-5-12(13)18(19,20)21)24-16(25)9-8-14(23-24)15-7-4-10-27-15/h2-11H,1H3,(H,22,26)
InChIKeyZHLQHIVFUQNQEU-UHFFFAOYSA-N
XLogP4.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 6499071
N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 16016983
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
(E)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-thiophen-2-ylprop-2-enamide
CID 2424168
N-(2-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253826
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
2-[3-(5-Chlorothiophen-2-YL)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2,6-dimethylphenyl)acetamide
CID 23612562
N-(3,4-difluorophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 7659576
N-[(E)-1-thiophen-2-ylethylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 9607932
4-Amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 16676547

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 121076702) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZHLQHIVFUQNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-6-3-2-5-12(13)18(19,20)21)24-16(25)9-8-14(23-24)15-7-4-10-27-15/h2-11H,1H3,(H,22,26).
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 393.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 121076702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).