N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide

C18H19N3O3S2 — CID 16905827

IUPACN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H19N3O3S2/c22-18-9-8-16(17-7-4-13-25-17)20-21(18)12-11-19-26(23,24)14-10-15-5-2-1-3-6-15/h1-9,13,19H,10-12,14H2
InChIKeyJARFGGWJSAGUOT-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.13
Rot. Bonds8

About N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 16905827) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID16905827
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H19N3O3S2/c22-18-9-8-16(17-7-4-13-25-17)20-21(18)12-11-19-26(23,24)14-10-15-5-2-1-3-6-15/h1-9,13,19H,10-12,14H2
InChIKeyJARFGGWJSAGUOT-UHFFFAOYSA-N
XLogP2.13
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide (CID 16905827) is N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is JARFGGWJSAGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c22-18-9-8-16(17-7-4-13-25-17)20-21(18)12-11-19-26(23,24)14-10-15-5-2-1-3-6-15/h1-9,13,19H,10-12,14H2.
What are the key properties of N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 16905827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).