N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

C23H25N7O3S2 — CID 122292418

IUPACN-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)s1
InChIInChI=1S/C23H25N7O3S2/c1-14-15(2)28-30(16(14)3)22-11-10-21(26-27-22)25-18-5-7-19(8-6-18)29-35(32,33)23-12-9-20(34-23)13-24-17(4)31/h5-12,29H,13H2,1-4H3,(H,24,31)(H,25,26)
InChIKeyKCMQCMIVVLGPJD-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.83
Rot. Bonds8

About N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 122292418) has the molecular formula C23H25N7O3S2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID122292418
Molecular FormulaC23H25N7O3S2
Molecular Weight511.63 g/mol
Exact Mass511.15
IUPAC NameN-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)s1
InChIInChI=1S/C23H25N7O3S2/c1-14-15(2)28-30(16(14)3)22-11-10-21(26-27-22)25-18-5-7-19(8-6-18)29-35(32,33)23-12-9-20(34-23)13-24-17(4)31/h5-12,29H,13H2,1-4H3,(H,24,31)(H,25,26)
InChIKeyKCMQCMIVVLGPJD-UHFFFAOYSA-N
XLogP3.83
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292389
N-[[5-[[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122296926
2,6-difluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292392
N-[[5-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293252
2,4-dichloro-5-methyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292393
4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292428
2-methoxy-5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]benzamide
CID 122292415
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
N-[[5-[[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122287728
1-(4-ethylphenyl)-3-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 56919860

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide (CID 122292418) is N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(-n4nc(C)c(C)c4C)nn3)cc2)s1.
What is the InChIKey of N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is KCMQCMIVVLGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S2/c1-14-15(2)28-30(16(14)3)22-11-10-21(26-27-22)25-18-5-7-19(8-6-18)29-35(32,33)23-12-9-20(34-23)13-24-17(4)31/h5-12,29H,13H2,1-4H3,(H,24,31)(H,25,26).
What are the key properties of N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 511.63 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 122292418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).