N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide

C19H20N4O4S2 — CID 16905829

IUPACN-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C19H20N4O4S2/c1-2-18(24)21-14-5-7-15(8-6-14)29(26,27)20-11-12-23-19(25)10-9-16(22-23)17-4-3-13-28-17/h3-10,13,20H,2,11-12H2,1H3,(H,21,24)
InChIKeyRMVZJVXFICDGTL-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.30
Rot. Bonds8

About N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide

N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide (PubChem CID 16905829) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
PubChem CID16905829
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C19H20N4O4S2/c1-2-18(24)21-14-5-7-15(8-6-14)29(26,27)20-11-12-23-19(25)10-9-16(22-23)17-4-3-13-28-17/h3-10,13,20H,2,11-12H2,1H3,(H,21,24)
InChIKeyRMVZJVXFICDGTL-UHFFFAOYSA-N
XLogP2.30
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide (CID 16905829) is N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1.
What is the InChIKey of N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
The InChIKey is RMVZJVXFICDGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-2-18(24)21-14-5-7-15(8-6-14)29(26,27)20-11-12-23-19(25)10-9-16(22-23)17-4-3-13-28-17/h3-10,13,20H,2,11-12H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide?
N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide has a molecular weight of 432.53 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 16905829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).