N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

C14H18N4O4S — CID 45218426

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H18N4O4S/c19-13(16-11-3-6-23(21,22)10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,19)
InChIKeyJPGVRJRFRXAWGR-UHFFFAOYSA-N
MW338.39 g/mol
LogP-0.73
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (PubChem CID 45218426) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
PubChem CID45218426
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCCC2)cc1=O)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C14H18N4O4S/c19-13(16-11-3-6-23(21,22)10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,19)
InChIKeyJPGVRJRFRXAWGR-UHFFFAOYSA-N
XLogP-0.73
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide (CID 45218426) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCCC2)cc1=O)NC1C=CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is JPGVRJRFRXAWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c19-13(16-11-3-6-23(21,22)10-11)9-18-14(20)7-12(8-15-18)17-4-1-2-5-17/h3,6-8,11H,1-2,4-5,9-10H2,(H,16,19).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 45218426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).