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

C22H22N2O2S — CID 5323054

IUPACN-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C22H22N2O2S/c1-26-16-8-6-7-15(13-16)23-21(25)14-27-22-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,23,25)
InChIKeyUCVPPJCRLDJQCU-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.85
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (PubChem CID 5323054) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
PubChem CID5323054
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1
InChIInChI=1S/C22H22N2O2S/c1-26-16-8-6-7-15(13-16)23-21(25)14-27-22-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,23,25)
InChIKeyUCVPPJCRLDJQCU-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
1-(3-Methoxyphenyl)-3-(2-methylquinolin-4-yl)urea
CID 16085848
1-(7-Methoxy-2-(thiophen-3-yl)quinolin-3-yl)-n-(4-methylbenzyl)methanamine
CID 52941356
(3-Methoxy-phenyl)-(2-methyl-quinolin-4-yl)-amine
CID 647778
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656385
N-(4-methoxyphenyl)-3-(2-quinolinylthio)propanamide
CID 890011
2-(6-Methoxy-2-methyl-quinolin-4-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 1143752
N-(2,6-dimethylphenyl)-2-[(6-methoxy-2-methyl-4-quinolinyl)thio]acetamide
CID 1162986
Phenyl-acetic acid N'-[2-(3-cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1374312
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(2,5-dimethoxy-phenyl)-acetamide
CID 1440307
2-(3-Benzyl-quinolin-2-ylsulfanyl)-N-(3,5-dimethoxy-phenyl)-acetamide
CID 1440330

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide (CID 5323054) is N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is COc1cccc(NC(=O)CSc2c3c(nc4ccccc24)CCCC3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
The InChIKey is UCVPPJCRLDJQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-26-16-8-6-7-15(13-16)23-21(25)14-27-22-17-9-2-4-11-19(17)24-20-12-5-3-10-18(20)22/h2,4,6-9,11,13H,3,5,10,12,14H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide?
N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide is sourced from PubChem (CID 5323054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).