N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C15H17N3O4S2 — CID 51044552

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCN(C(=O)Cn1nc(-c2cccs2)ccc1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O4S2/c1-17(11-6-8-24(21,22)10-11)15(20)9-18-14(19)5-4-12(16-18)13-3-2-7-23-13/h2-5,7,11H,6,8-10H2,1H3
InChIKeyRIVQXJLSGHOSOR-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.62
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 51044552) has the molecular formula C15H17N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID51044552
Molecular FormulaC15H17N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCN(C(=O)Cn1nc(-c2cccs2)ccc1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H17N3O4S2/c1-17(11-6-8-24(21,22)10-11)15(20)9-18-14(19)5-4-12(16-18)13-3-2-7-23-13/h2-5,7,11H,6,8-10H2,1H3
InChIKeyRIVQXJLSGHOSOR-UHFFFAOYSA-N
XLogP0.62
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 51044552) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is CN(C(=O)Cn1nc(-c2cccs2)ccc1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is RIVQXJLSGHOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S2/c1-17(11-6-8-24(21,22)10-11)15(20)9-18-14(19)5-4-12(16-18)13-3-2-7-23-13/h2-5,7,11H,6,8-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 51044552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).