N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide

C25H24N2O3S — CID 22908451

IUPACN-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide
SMILESCCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-4-17-27(31(29,30)19-15-13-18(2)14-16-19)25(28)24-20-9-5-7-11-22(20)26-23-12-8-6-10-21(23)24/h5-16H,3-4,17H2,1-2H3
InChIKeyLVGIKIPNRDJRDY-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.33
Rot. Bonds6

About N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide

N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide (PubChem CID 22908451) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide
PubChem CID22908451
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC NameN-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide
SMILESCCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H24N2O3S/c1-3-4-17-27(31(29,30)19-15-13-18(2)14-16-19)25(28)24-20-9-5-7-11-22(20)26-23-12-8-6-10-21(23)24/h5-16H,3-4,17H2,1-2H3
InChIKeyLVGIKIPNRDJRDY-UHFFFAOYSA-N
XLogP5.33
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[acridine-9-carbonyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 122589480
4-[(4-methylphenyl)sulfonyl-(10-propylacridin-10-ium-9-carbonyl)amino]butanoic acid
CID 122589476
1-butyl-1-(4-methylphenyl)sulfonylurea
CID 54549158
2-[(10-methylacridin-10-ium-9-carbonyl)-(4-methylphenyl)sulfonylamino]acetic acid
CID 22013521
N,N-dipropylacridine-9-carboxamide
CID 170440983
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
N-butyl-N-(3-chloroquinoxalin-2-yl)-4-methylbenzenesulfonamide
CID 2392249
3-[9-[[4-(5-carboxypentylamino)-4-oxobutyl]-(4-methylphenyl)sulfonylcarbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate
CID 122589460
3-[9-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]-(4-methylphenyl)sulfonylcarbamoyl]acridin-10-ium-10-yl]propane-1-sulfonic acid
CID 91362045
4-[[10-[4-[(4-aminocyclohexyl)amino]butyl]acridin-10-ium-9-carbonyl]-(4-methylphenyl)sulfonylamino]butanoic acid
CID 167597512
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
N,N-dimethylacridine-9-carboxamide
CID 125496081

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide?
The IUPAC name of N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide (CID 22908451) is N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide.
What is the SMILES notation for N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide?
The canonical SMILES for N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide is CCCCN(C(=O)c1c2ccccc2nc2ccccc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide?
The InChIKey is LVGIKIPNRDJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-3-4-17-27(31(29,30)19-15-13-18(2)14-16-19)25(28)24-20-9-5-7-11-22(20)26-23-12-8-6-10-21(23)24/h5-16H,3-4,17H2,1-2H3.
What are the key properties of N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide?
N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methylphenyl)sulfonylacridine-9-carboxamide is sourced from PubChem (CID 22908451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).