N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C21H19ClN2OS — CID 5323043

IUPACN-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESO=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2OS/c22-14-6-5-7-15(12-14)23-20(25)13-26-21-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)21/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,23,25)
InChIKeyBTHCOFLFDUONSO-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.50
Rot. Bonds4

About N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323043) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323043
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC NameN-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESO=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1cccc(Cl)c1
InChIInChI=1S/C21H19ClN2OS/c22-14-6-5-7-15(12-14)23-20(25)13-26-21-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)21/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,23,25)
InChIKeyBTHCOFLFDUONSO-UHFFFAOYSA-N
XLogP5.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323043) is N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is O=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is BTHCOFLFDUONSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2OS/c22-14-6-5-7-15(12-14)23-20(25)13-26-21-16-8-1-3-10-18(16)24-19-11-4-2-9-17(19)21/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 382.92 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).