2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

C23H24N4O4S — CID 23611786

IUPAC2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H24N4O4S/c1-17-9-10-18(15-21(17)32(30,31)26-13-5-6-14-26)20-11-12-23(29)27(25-20)16-22(28)24-19-7-3-2-4-8-19/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,24,28)
InChIKeyKUTCPQFVZDUNMG-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.64
Rot. Bonds6

About 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide

2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (PubChem CID 23611786) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
PubChem CID23611786
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C23H24N4O4S/c1-17-9-10-18(15-21(17)32(30,31)26-13-5-6-14-26)20-11-12-23(29)27(25-20)16-22(28)24-19-7-3-2-4-8-19/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,24,28)
InChIKeyKUTCPQFVZDUNMG-UHFFFAOYSA-N
XLogP2.64
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611770
2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
CID 50745234
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735719
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16618211
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide (CID 23611786) is 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
The InChIKey is KUTCPQFVZDUNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-17-9-10-18(15-21(17)32(30,31)26-13-5-6-14-26)20-11-12-23(29)27(25-20)16-22(28)24-19-7-3-2-4-8-19/h2-4,7-12,15H,5-6,13-14,16H2,1H3,(H,24,28).
What are the key properties of 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide?
2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide has a molecular weight of 452.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 23611786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).