9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide

C24H24N4O4S — CID 70691398

IUPAC9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N(C)c1c2cccc(C)c2nc2c(C(N)=O)cccc12
InChIInChI=1S/C24H24N4O4S/c1-14-7-5-8-16-21(14)26-22-17(9-6-10-18(22)24(25)29)23(16)28(2)19-12-11-15(13-20(19)32-3)27-33(4,30)31/h5-13,27H,1-4H3,(H2,25,29)
InChIKeySCWLIXGHDZIONF-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.94
Rot. Bonds6

About 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide

9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide (PubChem CID 70691398) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide.

Molecular Properties

Compound Name9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide
PubChem CID70691398
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1N(C)c1c2cccc(C)c2nc2c(C(N)=O)cccc12
InChIInChI=1S/C24H24N4O4S/c1-14-7-5-8-16-21(14)26-22-17(9-6-10-18(22)24(25)29)23(16)28(2)19-12-11-15(13-20(19)32-3)27-33(4,30)31/h5-13,27H,1-4H3,(H2,25,29)
InChIKeySCWLIXGHDZIONF-UHFFFAOYSA-N
XLogP3.94
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(dimethylphosphorylmethyl)-9-[4-(methanesulfonamido)-2-methoxyanilino]-5-methylacridine-4-carboxamide
CID 59835634
[5-(methanesulfonamido)-2-methoxyphenyl] 3-aminopropanoate
CID 70612631
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-(3-acetyl-4-methoxyphenyl)methanesulfonamide
CID 18615187
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]methanesulfonamide
CID 113048905
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343
N-(3-amino-4-methoxyphenyl)methanesulfonamide
CID 10560665
N-[4-(aminomethyl)-3-methoxyphenyl]methanesulfonamide
CID 21097532
N-(3,4-dimethoxyphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 46301952

Frequently Asked Questions

What is the IUPAC name of 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide?
The IUPAC name of 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide (CID 70691398) is 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide.
What is the SMILES notation for 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide?
The canonical SMILES for 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide is COc1cc(NS(C)(=O)=O)ccc1N(C)c1c2cccc(C)c2nc2c(C(N)=O)cccc12.
What is the InChIKey of 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide?
The InChIKey is SCWLIXGHDZIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-14-7-5-8-16-21(14)26-22-17(9-6-10-18(22)24(25)29)23(16)28(2)19-12-11-15(13-20(19)32-3)27-33(4,30)31/h5-13,27H,1-4H3,(H2,25,29).
What are the key properties of 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide?
9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(methanesulfonamido)-2-methoxy-N-methylanilino]-5-methylacridine-4-carboxamide is sourced from PubChem (CID 70691398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).