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

C25H21N3O3S — CID 46323807

IUPACN-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-3-13-22(14-4-17)32-23-15-16-24(29)28(27-23)20-9-5-18(6-10-20)25(30)26-19-7-11-21(31-2)12-8-19/h3-16H,1-2H3,(H,26,30)
InChIKeyXXZSJDXMNIXDOT-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.95
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (PubChem CID 46323807) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
PubChem CID46323807
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1
InChIInChI=1S/C25H21N3O3S/c1-17-3-13-22(14-4-17)32-23-15-16-24(29)28(27-23)20-9-5-18(6-10-20)25(30)26-19-7-11-21(31-2)12-8-19/h3-16H,1-2H3,(H,26,30)
InChIKeyXXZSJDXMNIXDOT-UHFFFAOYSA-N
XLogP4.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
N-(4-ethylphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323824
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
N-(2-fluorophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323826
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323693
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873
4-[3-(4-chlorophenyl)sulfanyl-6-oxopyridazin-1-yl]-N-(3-methylphenyl)benzamide
CID 46323783
N-butyl-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323886
4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 92869440
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (CID 46323807) is N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is COc1ccc(NC(=O)c2ccc(-n3nc(Sc4ccc(C)cc4)ccc3=O)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The InChIKey is XXZSJDXMNIXDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-17-3-13-22(14-4-17)32-23-15-16-24(29)28(27-23)20-9-5-18(6-10-20)25(30)26-19-7-11-21(31-2)12-8-19/h3-16H,1-2H3,(H,26,30).
What are the key properties of N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 46323807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).