4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

C26H23N3O2S — CID 92869440

IUPAC4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18-8-14-23(15-9-18)32-24-16-17-25(30)29(28-24)22-12-10-21(11-13-22)26(31)27-19(2)20-6-4-3-5-7-20/h3-17,19H,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyRUFBUHQYIRXFPS-LJQANCHMSA-N
MW441.56 g/mol
LogP5.18
Rot. Bonds6

About 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 92869440) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID92869440
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C26H23N3O2S/c1-18-8-14-23(15-9-18)32-24-16-17-25(30)29(28-24)22-12-10-21(11-13-22)26(31)27-19(2)20-6-4-3-5-7-20/h3-17,19H,1-2H3,(H,27,31)/t19-/m1/s1
InChIKeyRUFBUHQYIRXFPS-LJQANCHMSA-N
XLogP5.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide 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

4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869424
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323826
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323886
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873
4-(4-methyl-1-oxophthalazin-2-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 7335407
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323693
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (CID 92869440) is 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is RUFBUHQYIRXFPS-LJQANCHMSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-18-8-14-23(15-9-18)32-24-16-17-25(30)29(28-24)22-12-10-21(11-13-22)26(31)27-19(2)20-6-4-3-5-7-20/h3-17,19H,1-2H3,(H,27,31)/t19-/m1/s1.
What are the key properties of 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 92869440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).