[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C24H26N2O4S — CID 4040466

IUPAC[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1
InChIInChI=1S/C24H26N2O4S/c1-16-11-12-22-20(13-16)23(19-9-4-5-10-21(19)25-22)24(27)30-15-17-7-6-8-18(14-17)31(28,29)26(2)3/h4-10,14,16H,11-13,15H2,1-3H3
InChIKeyCUVNVCSXZVANGY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.97
Rot. Bonds5

About [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 4040466) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID4040466
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1
InChIInChI=1S/C24H26N2O4S/c1-16-11-12-22-20(13-16)23(19-9-4-5-10-21(19)25-22)24(27)30-15-17-7-6-8-18(14-17)31(28,29)26(2)3/h4-10,14,16H,11-13,15H2,1-3H3
InChIKeyCUVNVCSXZVANGY-UHFFFAOYSA-N
XLogP3.97
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylsulfamoyl)phenyl]methyl (2S,4Z)-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate
CID 92961821
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4002903
[2-(N-methylanilino)-2-oxoethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2434648
phenacyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2490463
phenacyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4145208
(5-ethyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 18130518
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 9139057
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2428411
[2-(N-ethylanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 5192327
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2102887
[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24631235
[2-oxo-2-(propylamino)ethyl] (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2599503

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 4040466) is [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC1CCc2nc3ccccc3c(C(=O)OCc3cccc(S(=O)(=O)N(C)C)c3)c2C1.
What is the InChIKey of [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is CUVNVCSXZVANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-16-11-12-22-20(13-16)23(19-9-4-5-10-21(19)25-22)24(27)30-15-17-7-6-8-18(14-17)31(28,29)26(2)3/h4-10,14,16H,11-13,15H2,1-3H3.
What are the key properties of [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 438.55 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylsulfamoyl)phenyl]methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 4040466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).