N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide

C25H30ClN3OS — CID 56930476

IUPACN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C25H30ClN3OS/c26-18-12-13-21-23(17-18)29-22-10-3-2-9-20(22)25(21)28-15-6-14-27-24(30)11-4-1-7-19-8-5-16-31-19/h5,8,12-13,16-17H,1-4,6-7,9-11,14-15H2,(H,27,30)(H,28,29)
InChIKeyGLEYGYRXUBEHAQ-UHFFFAOYSA-N
MW456.06 g/mol
LogP6.16
Rot. Bonds10

About N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide

N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide (PubChem CID 56930476) has the molecular formula C25H30ClN3OS and a molecular weight of 456.06 g/mol. Its IUPAC name is N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide
PubChem CID56930476
Molecular FormulaC25H30ClN3OS
Molecular Weight456.06 g/mol
Exact Mass455.18
IUPAC NameN-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
InChIInChI=1S/C25H30ClN3OS/c26-18-12-13-21-23(17-18)29-22-10-3-2-9-20(22)25(21)28-15-6-14-27-24(30)11-4-1-7-19-8-5-16-31-19/h5,8,12-13,16-17H,1-4,6-7,9-11,14-15H2,(H,27,30)(H,28,29)
InChIKeyGLEYGYRXUBEHAQ-UHFFFAOYSA-N
XLogP6.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.06
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide (CID 56930476) is N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide is O=C(CCCCc1cccs1)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.
What is the InChIKey of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide?
The InChIKey is GLEYGYRXUBEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3OS/c26-18-12-13-21-23(17-18)29-22-10-3-2-9-20(22)25(21)28-15-6-14-27-24(30)11-4-1-7-19-8-5-16-31-19/h5,8,12-13,16-17H,1-4,6-7,9-11,14-15H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide?
N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide has a molecular weight of 456.06 g/mol, XLogP of 6.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]propyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 56930476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).