N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

C25H24FN3O4S — CID 16748527

IUPACN-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1
InChIInChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
InChIKeyXOVWIHXYIVWKEJ-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.74
Rot. Bonds5

About N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748527) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748527
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1
InChIInChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31)
InChIKeyXOVWIHXYIVWKEJ-UHFFFAOYSA-N
XLogP3.74
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748017
2-fluoro-9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748021
Acridone-Based Inhibitor, 4f
CID 16748142
N-{2-[3-(dimethylsulfamoyl)phenyl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748143
Acridone-Based Inhibitor, 4e
CID 16748267
N-(4-((2-Benzoylanilino)sulfonyl)phenyl)acetamide
CID 4227718
2,6-difluoro-N-(1-tosyl-1,2,3,4-tetrahydroquinolin-7-yl)benzamide
CID 18578056
1-({4-[(Dipropylamino)sulfonyl]phenyl}carbonyl)-1,2,3-trihydroquinolin-4-one
CID 1106122
N-(3-acetylphenyl)-4-(1-piperidinylsulfonyl)benzamide
CID 1263021
N-(2,4-difluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1296874
N-(3-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325899
N-(3-acetylphenyl)-1-[(4-fluorophenyl)sulfonyl]-3-piperidinecarboxamide
CID 2964491

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 16748527) is N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1.
What is the InChIKey of N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is XOVWIHXYIVWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-25(2,15-9-11-16(12-10-15)34(32,33)29(3)4)28-24(31)18-14-22-19(13-20(18)26)23(30)17-7-5-6-8-21(17)27-22/h5-14H,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?
N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).