N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C25H27FN4O4S — CID 3224420

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C25H27FN4O4S/c1-29(21-5-3-2-4-6-21)35(33,34)22-13-11-20(12-14-22)27-24(31)17-30-25(32)16-15-23(28-30)18-7-9-19(26)10-8-18/h7-16,21H,2-6,17H2,1H3,(H,27,31)
InChIKeyKDDAXWIZGUPIHJ-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.64
Rot. Bonds7

About N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224420) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224420
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C25H27FN4O4S/c1-29(21-5-3-2-4-6-21)35(33,34)22-13-11-20(12-14-22)27-24(31)17-30-25(32)16-15-23(28-30)18-7-9-19(26)10-8-18/h7-16,21H,2-6,17H2,1H3,(H,27,31)
InChIKeyKDDAXWIZGUPIHJ-UHFFFAOYSA-N
XLogP3.64
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 31305119
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 55874325
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121051659
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224420) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is KDDAXWIZGUPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-29(21-5-3-2-4-6-21)35(33,34)22-13-11-20(12-14-22)27-24(31)17-30-25(32)16-15-23(28-30)18-7-9-19(26)10-8-18/h7-16,21H,2-6,17H2,1H3,(H,27,31).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 498.58 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).