N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

C34H35N5O5S — CID 174841228

IUPACN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1(c2ccc(N)cc2)CCC(=O)NC1=O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H19N3O3S.C13H16N2O2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-13,24H,1-2H3,(H,22,23);3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKeyNVXGHEBKLSXIFA-UHFFFAOYSA-N
MW625.75 g/mol
LogP5.86
Rot. Bonds7

About N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione

N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione (PubChem CID 174841228) has the molecular formula C34H35N5O5S and a molecular weight of 625.75 g/mol. Its IUPAC name is N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound NameN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
PubChem CID174841228
Molecular FormulaC34H35N5O5S
Molecular Weight625.75 g/mol
Exact Mass625.24
IUPAC NameN-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1(c2ccc(N)cc2)CCC(=O)NC1=O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H19N3O3S.C13H16N2O2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-13,24H,1-2H3,(H,22,23);3-6H,2,7-8,14H2,1H3,(H,15,16,17)
InChIKeyNVXGHEBKLSXIFA-UHFFFAOYSA-N
XLogP5.86
TPSA152.51 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.75
LogP ≤ 55.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(E)-3-[(6S,6aS)-4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
CID 174930592
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 86738977
N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
CID 90674998
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345
N-[4-(benzo[b][1,8]naphthyridin-5-ylamino)-3-methoxyphenyl]propane-1-sulfonamide;hydrochloride
CID 3054868
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CID 87148640
acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine
CID 159311935
N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide
CID 15645740
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]butane-1-sulfonamide;hydrochloride
CID 118705721

Frequently Asked Questions

What is the IUPAC name of N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione (CID 174841228) is N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione is CCC1(c2ccc(N)cc2)CCC(=O)NC1=O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione?
The InChIKey is NVXGHEBKLSXIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S.C13H16N2O2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-13,24H,1-2H3,(H,22,23);3-6H,2,7-8,14H2,1H3,(H,15,16,17).
What are the key properties of N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione?
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione has a molecular weight of 625.75 g/mol, XLogP of 5.86, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 174841228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).