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

C24H21FN2O4S — CID 16748267

IUPAC2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
InChIKeyMERHVMGGAUMJAS-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.89
Rot. Bonds4

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

2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 16748267) has the molecular formula C24H21FN2O4S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID16748267
Molecular FormulaC24H21FN2O4S
Molecular Weight452.51 g/mol
Exact Mass452.12
IUPAC Name2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29)
InChIKeyMERHVMGGAUMJAS-UHFFFAOYSA-N
XLogP3.89
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.89
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
N-{2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748527
2-(4-ethylsulfonylphenyl)-N-[3-fluoro-4-[2-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]phenyl]acetamide
CID 164609404
2-[6-fluoro-3-[(4-methylphenyl)sulfonyl]-4-oxoquinolin-1(4H)-yl]-N-phenylacetamide
CID 15944712
N-(2-acetylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 24980867
5-fluoro-3-methyl-2-[4-[[4-(trifluoromethylsulfinyl)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 155569270
N-[(4-ethylsulfonylphenyl)methyl]-4-[2-[7-(2-methylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethyl]benzamide
CID 164622971
N-(2,5-dimethylphenyl)-4-(4-fluorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide 1-oxide
CID 5308240
N-(4-fluorophenyl)-2-(3-((4-isopropylphenyl)sulfonyl)-4-oxoquinolin-1(4H)-yl)acetamide
CID 16009334

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 16748267) is 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is MERHVMGGAUMJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4S/c1-24(2,14-8-10-15(11-9-14)32(3,30)31)27-23(29)17-13-21-18(12-19(17)25)22(28)16-6-4-5-7-20(16)26-21/h4-13H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 16748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).