2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C14H17N3O3S — CID 99841724

IUPAC2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2sc(C)c(C)c2C)n1
InChIInChI=1S/C14H17N3O3S/c1-8-9(2)14(21-10(8)3)15-11(18)7-17-13(19)6-5-12(16-17)20-4/h5-6H,7H2,1-4H3,(H,15,18)
InChIKeyIMGYHVRYULNORT-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.88
Rot. Bonds4

About 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 99841724) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID99841724
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCOc1ccc(=O)n(CC(=O)Nc2sc(C)c(C)c2C)n1
InChIInChI=1S/C14H17N3O3S/c1-8-9(2)14(21-10(8)3)15-11(18)7-17-13(19)6-5-12(16-17)20-4/h5-6H,7H2,1-4H3,(H,15,18)
InChIKeyIMGYHVRYULNORT-UHFFFAOYSA-N
XLogP1.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 99841724) is 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide is COc1ccc(=O)n(CC(=O)Nc2sc(C)c(C)c2C)n1.
What is the InChIKey of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is IMGYHVRYULNORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-8-9(2)14(21-10(8)3)15-11(18)7-17-13(19)6-5-12(16-17)20-4/h5-6H,7H2,1-4H3,(H,15,18).
What are the key properties of 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-6-oxopyridazin-1-yl)-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 99841724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).