N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

C23H24N2O3S — CID 5323080

IUPACN-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C23H24N2O3S/c1-27-15-11-12-21(28-2)20(13-15)25-22(26)14-29-23-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26)
InChIKeyOXILAGNRKLXZSO-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.86
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide

N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323080) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323080
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C23H24N2O3S/c1-27-15-11-12-21(28-2)20(13-15)25-22(26)14-29-23-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26)
InChIKeyOXILAGNRKLXZSO-UHFFFAOYSA-N
XLogP4.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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CID 1440330
2-(7-Methoxy-4-phenylquinolin-2-yl)sulfanylacetamide
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CID 2588947

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323080) is N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is COc1ccc(OC)c(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is OXILAGNRKLXZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-27-15-11-12-21(28-2)20(13-15)25-22(26)14-29-23-16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)23/h3,5,7,9,11-13H,4,6,8,10,14H2,1-2H3,(H,25,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 408.52 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).