2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide

C28H32ClFN4OS — CID 20858323

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H32ClFN4OS/c29-20-6-11-26-24(18-20)28(23-4-1-2-5-25(23)32-26)36-19-27(35)31-12-3-13-33-14-16-34(17-15-33)22-9-7-21(30)8-10-22/h6-11,18H,1-5,12-17,19H2,(H,31,35)
InChIKeyLTNLSXDQVPYVMG-UHFFFAOYSA-N
MW527.11 g/mol
LogP5.33
Rot. Bonds8

About 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 20858323) has the molecular formula C28H32ClFN4OS and a molecular weight of 527.11 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
PubChem CID20858323
Molecular FormulaC28H32ClFN4OS
Molecular Weight527.11 g/mol
Exact Mass526.20
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H32ClFN4OS/c29-20-6-11-26-24(18-20)28(23-4-1-2-5-25(23)32-26)36-19-27(35)31-12-3-13-33-14-16-34(17-15-33)22-9-7-21(30)8-10-22/h6-11,18H,1-5,12-17,19H2,(H,31,35)
InChIKeyLTNLSXDQVPYVMG-UHFFFAOYSA-N
XLogP5.33
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.11
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide 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]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide (CID 20858323) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide is O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is LTNLSXDQVPYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN4OS/c29-20-6-11-26-24(18-20)28(23-4-1-2-5-25(23)32-26)36-19-27(35)31-12-3-13-33-14-16-34(17-15-33)22-9-7-21(30)8-10-22/h6-11,18H,1-5,12-17,19H2,(H,31,35).
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 527.11 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 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]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 20858323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).