2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide

C23H19N5O2S2 — CID 151844776

IUPAC2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide
SMILESNc1ccc(NC(=O)c2ccc3c(c2)Cc2ccc(C(=O)Nc4ccc(N)s4)cc2N3)s1
InChIInChI=1S/C23H19N5O2S2/c24-18-5-7-20(31-18)27-22(29)13-3-4-16-15(10-13)9-12-1-2-14(11-17(12)26-16)23(30)28-21-8-6-19(25)32-21/h1-8,10-11,26H,9,24-25H2,(H,27,29)(H,28,30)
InChIKeySHKQPUCXPYFGHH-UHFFFAOYSA-N
MW461.57 g/mol
LogP5.13
Rot. Bonds4

About 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide

2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide (PubChem CID 151844776) has the molecular formula C23H19N5O2S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide
PubChem CID151844776
Molecular FormulaC23H19N5O2S2
Molecular Weight461.57 g/mol
Exact Mass461.10
IUPAC Name2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide
SMILESNc1ccc(NC(=O)c2ccc3c(c2)Cc2ccc(C(=O)Nc4ccc(N)s4)cc2N3)s1
InChIInChI=1S/C23H19N5O2S2/c24-18-5-7-20(31-18)27-22(29)13-3-4-16-15(10-13)9-12-1-2-14(11-17(12)26-16)23(30)28-21-8-6-19(25)32-21/h1-8,10-11,26H,9,24-25H2,(H,27,29)(H,28,30)
InChIKeySHKQPUCXPYFGHH-UHFFFAOYSA-N
XLogP5.13
TPSA122.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

9,10-dihydroacridine-2,6-diamine
CID 138605968
N-[1-(aminomethyl)cyclopentyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711541
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115271278
N-(5-amino-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 115273678
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797926
N-(3,5-dimethylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700387
2-oxo-N-(4-sulfanylphenyl)-1,3-dihydroindole-6-carboxamide
CID 162521066
2-N,6-N-bis(5-nitrothiophen-2-yl)-10-oxo-9H-anthracene-2,6-dicarboxamide
CID 154632324
N-(2-cyanophenyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711879
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 167928666
N-[3-(dimethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784695

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide (CID 151844776) is 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide is Nc1ccc(NC(=O)c2ccc3c(c2)Cc2ccc(C(=O)Nc4ccc(N)s4)cc2N3)s1.
What is the InChIKey of 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide?
The InChIKey is SHKQPUCXPYFGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S2/c24-18-5-7-20(31-18)27-22(29)13-3-4-16-15(10-13)9-12-1-2-14(11-17(12)26-16)23(30)28-21-8-6-19(25)32-21/h1-8,10-11,26H,9,24-25H2,(H,27,29)(H,28,30).
What are the key properties of 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide?
2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.13, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(5-aminothiophen-2-yl)-9,10-dihydroacridine-2,6-dicarboxamide is sourced from PubChem (CID 151844776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).