(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

C25H26N4O3S — CID 40855207

IUPAC(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)c2C1
InChIInChI=1S/C25H26N4O3S/c1-16-11-12-22-20(14-16)24(19-8-2-3-9-21(19)28-22)25(30)27-17-6-4-7-18(15-17)33(31,32)29-23-10-5-13-26-23/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,29)(H,27,30)/t16-/m0/s1
InChIKeyROABIRJQXALHMG-INIZCTEOSA-N
MW462.58 g/mol
LogP4.08
Rot. Bonds4

About (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide

(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 40855207) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID40855207
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESC[C@H]1CCc2nc3ccccc3c(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)c2C1
InChIInChI=1S/C25H26N4O3S/c1-16-11-12-22-20(14-16)24(19-8-2-3-9-21(19)28-22)25(30)27-17-6-4-7-18(15-17)33(31,32)29-23-10-5-13-26-23/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,29)(H,27,30)/t16-/m0/s1
InChIKeyROABIRJQXALHMG-INIZCTEOSA-N
XLogP4.08
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 40855204
N-[4-(dimethylcarbamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 42905717
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylquinoline-4-carboxamide
CID 3883463
(2R)-N-cycloheptyl-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 7886798
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 18208046
(2S)-N-(4-bromo-2-fluorophenyl)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2094922
4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(methanesulfonamido)benzamide
CID 55350690
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methoxybenzamide
CID 9117099
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4833277
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
CID 24514431

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 40855207) is (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)c2C1.
What is the InChIKey of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is ROABIRJQXALHMG-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-16-11-12-22-20(14-16)24(19-8-2-3-9-21(19)28-22)25(30)27-17-6-4-7-18(15-17)33(31,32)29-23-10-5-13-26-23/h2-4,6-9,15-16H,5,10-14H2,1H3,(H,26,29)(H,27,30)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide?
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 40855207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).