2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

C22H21ClN2O2S — CID 20867716

IUPAC2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1
InChIInChI=1S/C22H21ClN2O2S/c1-27-16-9-7-15(8-10-16)24-21(26)13-28-22-17-4-2-3-5-19(17)25-20-12-14(23)6-11-18(20)22/h6-12H,2-5,13H2,1H3,(H,24,26)
InChIKeyNNBYAWKDMOGRED-UHFFFAOYSA-N
MW412.94 g/mol
LogP5.51
Rot. Bonds5

About 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (PubChem CID 20867716) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
PubChem CID20867716
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1
InChIInChI=1S/C22H21ClN2O2S/c1-27-16-9-7-15(8-10-16)24-21(26)13-28-22-17-4-2-3-5-19(17)25-20-12-14(23)6-11-18(20)22/h6-12H,2-5,13H2,1H3,(H,24,26)
InChIKeyNNBYAWKDMOGRED-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

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Related Compounds

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-phenylacetamide
CID 20858401
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323049
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
CID 131842042
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
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-pyridin-3-ylacetamide
CID 20858337
N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858397
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20867703
N-(4-methoxyphenyl)-2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 967721
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 20858393
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 4021784

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide (CID 20867716) is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1.
What is the InChIKey of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is NNBYAWKDMOGRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c1-27-16-9-7-15(8-10-16)24-21(26)13-28-22-17-4-2-3-5-19(17)25-20-12-14(23)6-11-18(20)22/h6-12H,2-5,13H2,1H3,(H,24,26).
What are the key properties of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide?
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-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-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 20867716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).