2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

C18H18N4O4S2 — CID 121076871

IUPAC2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H18N4O4S2/c1-18(2,17(24)20-12-5-7-13(8-6-12)28(19,25)26)22-16(23)10-9-14(21-22)15-4-3-11-27-15/h3-11H,1-2H3,(H,20,24)(H2,19,25,26)
InChIKeyZMLYBEMJNOUNAS-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 121076871) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID121076871
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C18H18N4O4S2/c1-18(2,17(24)20-12-5-7-13(8-6-12)28(19,25)26)22-16(23)10-9-14(21-22)15-4-3-11-27-15/h3-11H,1-2H3,(H,20,24)(H2,19,25,26)
InChIKeyZMLYBEMJNOUNAS-UHFFFAOYSA-N
XLogP1.99
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076958
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076950
2-methyl-N-(3-methyl-2-pyridinyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076759
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076772
(2S)-2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 52904241
2-[2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076895
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076846
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076845
N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076808
N-(4-sulfamoylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270174
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (CID 121076871) is 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is CC(C)(C(=O)Nc1ccc(S(N)(=O)=O)cc1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ZMLYBEMJNOUNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-18(2,17(24)20-12-5-7-13(8-6-12)28(19,25)26)22-16(23)10-9-14(21-22)15-4-3-11-27-15/h3-11H,1-2H3,(H,20,24)(H2,19,25,26).
What are the key properties of 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 121076871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).