2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C24H24ClN3O3S — CID 3239595

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-16-7-8-20-18(14-16)23(17-4-1-2-5-19(17)26-20)32-15-22(29)27-9-11-28(12-10-27)24(30)21-6-3-13-31-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2
InChIKeyGUPHTHSGBNNSPA-UHFFFAOYSA-N
MW469.99 g/mol
LogP4.44
Rot. Bonds4

About 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 3239595) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID3239595
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H24ClN3O3S/c25-16-7-8-20-18(14-16)23(17-4-1-2-5-19(17)26-20)32-15-22(29)27-9-11-28(12-10-27)24(30)21-6-3-13-31-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2
InChIKeyGUPHTHSGBNNSPA-UHFFFAOYSA-N
XLogP4.44
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 3239595) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GUPHTHSGBNNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c25-16-7-8-20-18(14-16)23(17-4-1-2-5-19(17)26-20)32-15-22(29)27-9-11-28(12-10-27)24(30)21-6-3-13-31-21/h3,6-8,13-14H,1-2,4-5,9-12,15H2.
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 469.99 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3239595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).