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

C24H22N2O4S — CID 68561679

IUPACN-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C24H22N2O4S/c1-24(2,18-9-5-7-11-21(18)31(3,29)30)26-23(28)15-12-13-17-20(14-15)25-19-10-6-4-8-16(19)22(17)27/h4-14H,1-3H3,(H,25,27)(H,26,28)
InChIKeyRQPRSKSQKDJLGK-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.75
Rot. Bonds4

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

N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (PubChem CID 68561679) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
PubChem CID68561679
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
SMILESCC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C24H22N2O4S/c1-24(2,18-9-5-7-11-21(18)31(3,29)30)26-23(28)15-12-13-17-20(14-15)25-19-10-6-4-8-16(19)22(17)27/h4-14H,1-3H3,(H,25,27)(H,26,28)
InChIKeyRQPRSKSQKDJLGK-UHFFFAOYSA-N
XLogP3.75
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.75
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

N-(2-cyanopropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 142264774
N-(1-hydroxy-2-methyl-1-phenylpropan-2-yl)-9-oxo-10H-acridine-3-carboxamide
CID 59019210
9-oxo-N-sulfanyl-10H-acridine-3-carboxamide
CID 142264856
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558251
N-[2-[6-(azetidin-1-yl)-3-pyridinyl]propan-2-yl]-9-oxo-10H-acridine-3-carboxamide
CID 68558236
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
3-[1-[2-[4-(2-methoxyethoxy)phenyl]propan-2-ylamino]ethenyl]-10H-acridin-9-one
CID 148779176
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
CID 59019348
10H-acridin-9-one;ethane
CID 91525380
tert-butyl N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]carbamate;methane;9-oxo-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-yl]-10H-acridine-3-carboxamide
CID 157407070
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide (CID 68561679) is N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
The InChIKey is RQPRSKSQKDJLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-24(2,18-9-5-7-11-21(18)31(3,29)30)26-23(28)15-12-13-17-20(14-15)25-19-10-6-4-8-16(19)22(17)27/h4-14H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide?
N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylsulfonylphenyl)propan-2-yl]-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 68561679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).