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

C23H24N2O2S — CID 5323079

IUPACN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-27-17-13-11-16(12-14-17)24-22(26)15-28-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-14H,2,4,6,8,10,15H2,1H3,(H,24,26)
InChIKeyKOIHQBARQVOKJJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.24
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323079) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323079
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C23H24N2O2S/c1-2-27-17-13-11-16(12-14-17)24-22(26)15-28-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-14H,2,4,6,8,10,15H2,1H3,(H,24,26)
InChIKeyKOIHQBARQVOKJJ-UHFFFAOYSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323079) is N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is CCOc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is KOIHQBARQVOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-27-17-13-11-16(12-14-17)24-22(26)15-28-23-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)23/h3,5,7,9,11-14H,2,4,6,8,10,15H2,1H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 392.52 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).