N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride

C25H26ClN3O3S — CID 90675349

IUPACN-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O.Cl
InChIInChI=1S/C25H25N3O3S.ClH/c1-25(2,3)24(29)28(32(4,30)31)18-15-13-17(14-16-18)26-23-19-9-5-7-11-21(19)27-22-12-8-6-10-20(22)23;/h5-16H,1-4H3,(H,26,27);1H
InChIKeyYMJSQPFNHKYGHJ-UHFFFAOYSA-N
MW484.02 g/mol
LogP5.89
Rot. Bonds4

About N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride

N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride (PubChem CID 90675349) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride
PubChem CID90675349
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC NameN-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O.Cl
InChIInChI=1S/C25H25N3O3S.ClH/c1-25(2,3)24(29)28(32(4,30)31)18-15-13-17(14-16-18)26-23-19-9-5-7-11-21(19)27-22-12-8-6-10-20(22)23;/h5-16H,1-4H3,(H,26,27);1H
InChIKeyYMJSQPFNHKYGHJ-UHFFFAOYSA-N
XLogP5.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.02
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride (CID 90675349) is N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride is CC(C)(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride?
The InChIKey is YMJSQPFNHKYGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S.ClH/c1-25(2,3)24(29)28(32(4,30)31)18-15-13-17(14-16-18)26-23-19-9-5-7-11-21(19)27-22-12-8-6-10-20(22)23;/h5-16H,1-4H3,(H,26,27);1H.
What are the key properties of N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride?
N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride has a molecular weight of 484.02 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-9-ylamino)phenyl]-2,2-dimethyl-N-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 90675349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).