N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C20H18ClN3O4S — CID 53073562

IUPACN-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-14-5-4-7-16(11-14)29(27,28)19-9-10-20(26)24(23-19)13-18(25)22-12-15-6-2-3-8-17(15)21/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyHDXGNENYJZGMTG-UHFFFAOYSA-N
MW431.90 g/mol
LogP2.35
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073562) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073562
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)c1
InChIInChI=1S/C20H18ClN3O4S/c1-14-5-4-7-16(11-14)29(27,28)19-9-10-20(26)24(23-19)13-18(25)22-12-15-6-2-3-8-17(15)21/h2-11H,12-13H2,1H3,(H,22,25)
InChIKeyHDXGNENYJZGMTG-UHFFFAOYSA-N
XLogP2.35
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-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

Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073533
2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
N-[(2-chlorophenyl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34732047
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423
2-[3-(4-chlorophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 53073417
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
N-[(2-chlorophenyl)methyl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 39894799
N-[(2-chlorophenyl)methyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217730
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073562) is N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is Cc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HDXGNENYJZGMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-14-5-4-7-16(11-14)29(27,28)19-9-10-20(26)24(23-19)13-18(25)22-12-15-6-2-3-8-17(15)21/h2-11H,12-13H2,1H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 431.90 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[3-(3-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).