N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide

C23H23N3O5S — CID 90674998

IUPACN-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCO)ccc12
InChIInChI=1S/C23H23N3O5S/c1-30-22-13-15(26-32(2,28)29)7-10-20(22)25-23-17-5-3-4-6-19(17)24-21-14-16(31-12-11-27)8-9-18(21)23/h3-10,13-14,26-27H,11-12H2,1-2H3,(H,24,25)
InChIKeyPOQBASQBDKJQSV-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.88
Rot. Bonds8

About N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide

N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide (PubChem CID 90674998) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
PubChem CID90674998
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCO)ccc12
InChIInChI=1S/C23H23N3O5S/c1-30-22-13-15(26-32(2,28)29)7-10-20(22)25-23-17-5-3-4-6-19(17)24-21-14-16(31-12-11-27)8-9-18(21)23/h3-10,13-14,26-27H,11-12H2,1-2H3,(H,24,25)
InChIKeyPOQBASQBDKJQSV-UHFFFAOYSA-N
XLogP3.88
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 86738977
N-[3-methoxy-4-[(7-methoxy-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]phenyl]methanesulfonamide
CID 15645740
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-[4-(acridin-9-ylamino)-3-[2-hydroxyethyl(methyl)amino]phenyl]methanesulfonamide
CID 14421696
N-butyl-9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide;hydrochloride
CID 3054878
6-[[9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carbonyl]amino]hexyl methanesulfonate;hydrochloride
CID 3054885
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-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]butane-1-sulfonamide;hydrochloride
CID 118705721
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
CID 174841228
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796
[4-(acridin-9-ylamino)-3-(2-methoxyethyl)phenyl]sulfamoyl methanesulfonate
CID 155095239

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide (CID 90674998) is N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(OCCO)ccc12.
What is the InChIKey of N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide?
The InChIKey is POQBASQBDKJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-22-13-15(26-32(2,28)29)7-10-20(22)25-23-17-5-3-4-6-19(17)24-21-14-16(31-12-11-27)8-9-18(21)23/h3-10,13-14,26-27H,11-12H2,1-2H3,(H,24,25).
What are the key properties of N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide?
N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 90674998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).