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

C18H14F3N3O2S — CID 121076703

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-5-2-4-12(10-13)18(19,20)21)24-16(25)8-7-14(23-24)15-6-3-9-27-15/h2-11H,1H3,(H,22,26)
InChIKeyUDTSTMUJEVPMNL-UHFFFAOYSA-N
MW393.39 g/mol
LogP4.19
Rot. Bonds4

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

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 121076703) 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-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID121076703
Molecular FormulaC18H14F3N3O2S
Molecular Weight393.39 g/mol
Exact Mass393.08
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-5-2-4-12(10-13)18(19,20)21)24-16(25)8-7-14(23-24)15-6-3-9-27-15/h2-11H,1H3,(H,22,26)
InChIKeyUDTSTMUJEVPMNL-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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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 121076703) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is UDTSTMUJEVPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S/c1-11(17(26)22-13-5-2-4-12(10-13)18(19,20)21)24-16(25)8-7-14(23-24)15-6-3-9-27-15/h2-11H,1H3,(H,22,26).
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[3-(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-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 121076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).