2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide

C23H29ClN2OS — CID 20858281

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)C1C
InChIInChI=1S/C23H29ClN2OS/c1-14-6-5-9-19(15(14)2)26-22(27)13-28-23-17-7-3-4-8-20(17)25-21-11-10-16(24)12-18(21)23/h10-12,14-15,19H,3-9,13H2,1-2H3,(H,26,27)
InChIKeyJQLIOTMUIOZRTD-UHFFFAOYSA-N
MW417.02 g/mol
LogP5.80
Rot. Bonds4

About 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (PubChem CID 20858281) has the molecular formula C23H29ClN2OS and a molecular weight of 417.02 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
PubChem CID20858281
Molecular FormulaC23H29ClN2OS
Molecular Weight417.02 g/mol
Exact Mass416.17
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)C1C
InChIInChI=1S/C23H29ClN2OS/c1-14-6-5-9-19(15(14)2)26-22(27)13-28-23-17-7-3-4-8-20(17)25-21-11-10-16(24)12-18(21)23/h10-12,14-15,19H,3-9,13H2,1-2H3,(H,26,27)
InChIKeyJQLIOTMUIOZRTD-UHFFFAOYSA-N
XLogP5.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.02
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide with MolForge

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Related Compounds

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
CID 131842042
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 20867723
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
2-(2,5-dichlorophenyl)sulfanyl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11917970
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 20858393
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 20858277
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 11918302
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 20858307
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide (CID 20858281) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide is CC1CCCC(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)C1C.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
The InChIKey is JQLIOTMUIOZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2OS/c1-14-6-5-9-19(15(14)2)26-22(27)13-28-23-17-7-3-4-8-20(17)25-21-11-10-16(24)12-18(21)23/h10-12,14-15,19H,3-9,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide has a molecular weight of 417.02 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 20858281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).