[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C25H27N3O4S — CID 3958326

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)14-8-9-19-17(12-14)21(15-6-4-5-7-18(15)27-19)24(31)32-13-20(29)28-23-16(22(26)30)10-11-33-23/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H2,26,30)(H,28,29)
InChIKeyZEMZBSXIBOUQSH-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.34
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 3958326) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID3958326
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C1
InChIInChI=1S/C25H27N3O4S/c1-25(2,3)14-8-9-19-17(12-14)21(15-6-4-5-7-18(15)27-19)24(31)32-13-20(29)28-23-16(22(26)30)10-11-33-23/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H2,26,30)(H,28,29)
InChIKeyZEMZBSXIBOUQSH-UHFFFAOYSA-N
XLogP4.34
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 41167109
[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
[2-(2-iodoanilino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23969723
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23857968
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839961
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839977
[2-(cyclooctylamino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3898235
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839974
[2-(2-bromo-4-methylanilino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2409887
[2-(4-bromo-3-methylanilino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 32699231
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23881714
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 3958326) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is CC(C)(C)C1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C(N)=O)c2C1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is ZEMZBSXIBOUQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-25(2,3)14-8-9-19-17(12-14)21(15-6-4-5-7-18(15)27-19)24(31)32-13-20(29)28-23-16(22(26)30)10-11-33-23/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H2,26,30)(H,28,29).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 465.58 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 3958326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).