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

C22H21ClN2O2S — CID 20858277

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C22H21ClN2O2S/c1-27-16-6-4-5-15(12-16)24-21(26)13-28-22-17-7-2-3-8-19(17)25-20-10-9-14(23)11-18(20)22/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,24,26)
InChIKeyCGSIEZDBLZTLIZ-UHFFFAOYSA-N
MW412.94 g/mol
LogP5.51
Rot. Bonds5

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

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 20858277) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID20858277
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c1
InChIInChI=1S/C22H21ClN2O2S/c1-27-16-6-4-5-15(12-16)24-21(26)13-28-22-17-7-2-3-8-19(17)25-20-10-9-14(23)11-18(20)22/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,24,26)
InChIKeyCGSIEZDBLZTLIZ-UHFFFAOYSA-N
XLogP5.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.94
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-pyridin-3-ylacetamide
CID 20858337
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20867716
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 20858281
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 20858307
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide (CID 20858277) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c1.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is CGSIEZDBLZTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c1-27-16-6-4-5-15(12-16)24-21(26)13-28-22-17-7-2-3-8-19(17)25-20-10-9-14(23)11-18(20)22/h4-6,9-12H,2-3,7-8,13H2,1H3,(H,24,26).
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 412.94 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 20858277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).