2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

C23H31N3O3S — CID 60604882

IUPAC2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)NCCN3CCCS3(=O)=O)c2C1
InChIInChI=1S/C23H31N3O3S/c1-23(2,3)16-9-10-20-18(15-16)21(17-7-4-5-8-19(17)25-20)22(27)24-11-13-26-12-6-14-30(26,28)29/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,24,27)
InChIKeyXRPKWUQNZTZCPN-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.15
Rot. Bonds4

About 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide

2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 60604882) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID60604882
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCC(C)(C)C1CCc2nc3ccccc3c(C(=O)NCCN3CCCS3(=O)=O)c2C1
InChIInChI=1S/C23H31N3O3S/c1-23(2,3)16-9-10-20-18(15-16)21(17-7-4-5-8-19(17)25-20)22(27)24-11-13-26-12-6-14-30(26,28)29/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,24,27)
InChIKeyXRPKWUQNZTZCPN-UHFFFAOYSA-N
XLogP3.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 60604882) is 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide is CC(C)(C)C1CCc2nc3ccccc3c(C(=O)NCCN3CCCS3(=O)=O)c2C1.
What is the InChIKey of 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is XRPKWUQNZTZCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-23(2,3)16-9-10-20-18(15-16)21(17-7-4-5-8-19(17)25-20)22(27)24-11-13-26-12-6-14-30(26,28)29/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,24,27).
What are the key properties of 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide?
2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 60604882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).