N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C18H20N6O4S — CID 122306736

IUPACN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)nn1
InChIInChI=1S/C18H20N6O4S/c1-13-19-10-11-24(13)16-8-9-18(22-21-16)28-15-6-4-14(5-7-15)20-17(25)12-23(2)29(3,26)27/h4-11H,12H2,1-3H3,(H,20,25)
InChIKeyCOBMPPSIVRWPCI-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.59
Rot. Bonds7

About N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 122306736) has the molecular formula C18H20N6O4S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID122306736
Molecular FormulaC18H20N6O4S
Molecular Weight416.46 g/mol
Exact Mass416.13
IUPAC NameN-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCc1nccn1-c1ccc(Oc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)nn1
InChIInChI=1S/C18H20N6O4S/c1-13-19-10-11-24(13)16-8-9-18(22-21-16)28-15-6-4-14(5-7-15)20-17(25)12-23(2)29(3,26)27/h4-11H,12H2,1-3H3,(H,20,25)
InChIKeyCOBMPPSIVRWPCI-UHFFFAOYSA-N
XLogP1.59
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenoxy)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306698
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 122306584
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122306723
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(3-methylphenyl)acetamide
CID 122306699
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(2-methylphenoxy)acetamide
CID 122306694
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122306722
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306527
4-tert-butyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306515
1-(2,6-difluorophenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306656

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 122306736) is N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide is Cc1nccn1-c1ccc(Oc2ccc(NC(=O)CN(C)S(C)(=O)=O)cc2)nn1.
What is the InChIKey of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is COBMPPSIVRWPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4S/c1-13-19-10-11-24(13)16-8-9-18(22-21-16)28-15-6-4-14(5-7-15)20-17(25)12-23(2)29(3,26)27/h4-11H,12H2,1-3H3,(H,20,25).
What are the key properties of N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 122306736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).