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

C27H24N2O2S — CID 5323049

IUPACN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESO=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O2S/c30-26(28-19-14-16-21(17-15-19)31-20-8-2-1-3-9-20)18-32-27-22-10-4-6-12-24(22)29-25-13-7-5-11-23(25)27/h1-4,6,8-10,12,14-17H,5,7,11,13,18H2,(H,28,30)
InChIKeyJKQMBDRYHYFKTG-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.64
Rot. Bonds6

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

N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323049) has the molecular formula C27H24N2O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323049
Molecular FormulaC27H24N2O2S
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC NameN-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESO=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O2S/c30-26(28-19-14-16-21(17-15-19)31-20-8-2-1-3-9-20)18-32-27-22-10-4-6-12-24(22)29-25-13-7-5-11-23(25)27/h1-4,6,8-10,12,14-17H,5,7,11,13,18H2,(H,28,30)
InChIKeyJKQMBDRYHYFKTG-UHFFFAOYSA-N
XLogP6.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20867716
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 23738398
N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323070
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 20858277
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-pyridin-3-ylacetamide
CID 20858337
2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylsulfanyl)-1-pyrrolidin-1-ylethanone
CID 6622084
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 7748377
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7415999
[2-(4-ethoxyanilino)-2-oxoethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 7277152
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323049) is N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is O=C(CSc1c2c(nc3ccccc13)CCCC2)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is JKQMBDRYHYFKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2S/c30-26(28-19-14-16-21(17-15-19)31-20-8-2-1-3-9-20)18-32-27-22-10-4-6-12-24(22)29-25-13-7-5-11-23(25)27/h1-4,6,8-10,12,14-17H,5,7,11,13,18H2,(H,28,30).
What are the key properties of N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 440.57 g/mol, XLogP of 6.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).