N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide

C25H28N4O4S — CID 23611722

IUPACN-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2=O)c1
InChIInChI=1S/C25H28N4O4S/c1-18-7-6-8-21(15-18)26-24(30)17-29-25(31)12-11-22(27-29)20-10-9-19(2)23(16-20)34(32,33)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14,17H2,1-2H3,(H,26,30)
InChIKeyUBGIFRBWQRCPJF-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.34
Rot. Bonds6

About N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 23611722) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID23611722
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2=O)c1
InChIInChI=1S/C25H28N4O4S/c1-18-7-6-8-21(15-18)26-24(30)17-29-25(31)12-11-22(27-29)20-10-9-19(2)23(16-20)34(32,33)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14,17H2,1-2H3,(H,26,30)
InChIKeyUBGIFRBWQRCPJF-UHFFFAOYSA-N
XLogP3.34
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide 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-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 23611722) is N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide is Cc1cccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UBGIFRBWQRCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-18-7-6-8-21(15-18)26-24(30)17-29-25(31)12-11-22(27-29)20-10-9-19(2)23(16-20)34(32,33)28-13-4-3-5-14-28/h6-12,15-16H,3-5,13-14,17H2,1-2H3,(H,26,30).
What are the key properties of N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 23611722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).