N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide

C22H23N3O4S — CID 53073682

IUPACN-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)c1
InChIInChI=1S/C22H23N3O4S/c1-15(2)17-7-9-19(10-8-17)30(28,29)21-11-12-22(27)25(24-21)14-20(26)23-18-6-4-5-16(3)13-18/h4-13,15H,14H2,1-3H3,(H,23,26)
InChIKeyPFUPWBAVQLAEML-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.15
Rot. Bonds6

About N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide

N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide (PubChem CID 53073682) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
PubChem CID53073682
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)c1
InChIInChI=1S/C22H23N3O4S/c1-15(2)17-7-9-19(10-8-17)30(28,29)21-11-12-22(27)25(24-21)14-20(26)23-18-6-4-5-16(3)13-18/h4-13,15H,14H2,1-3H3,(H,23,26)
InChIKeyPFUPWBAVQLAEML-UHFFFAOYSA-N
XLogP3.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-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

Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073644
N-(3-acetylphenyl)-2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073446
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 53073408
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 95071817
N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
N-[2-(4-chlorophenyl)ethyl]-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073676
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073562
N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide
CID 83273435
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53073457

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide (CID 53073682) is N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide is Cc1cccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(C(C)C)cc3)ccc2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
The InChIKey is PFUPWBAVQLAEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15(2)17-7-9-19(10-8-17)30(28,29)21-11-12-22(27)25(24-21)14-20(26)23-18-6-4-5-16(3)13-18/h4-13,15H,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide?
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 3.15, 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-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide is sourced from PubChem (CID 53073682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).