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

C21H20ClN3OS — CID 6622143

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccccn1
InChIInChI=1S/C21H20ClN3OS/c22-14-8-9-19-17(11-14)21(16-6-1-2-7-18(16)25-19)27-13-20(26)24-12-15-5-3-4-10-23-15/h3-5,8-11H,1-2,6-7,12-13H2,(H,24,26)
InChIKeyBXKJRSQNPFQMDG-UHFFFAOYSA-N
MW397.93 g/mol
LogP4.57
Rot. Bonds5

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

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 6622143) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID6622143
Molecular FormulaC21H20ClN3OS
Molecular Weight397.93 g/mol
Exact Mass397.10
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccccn1
InChIInChI=1S/C21H20ClN3OS/c22-14-8-9-19-17(11-14)21(16-6-1-2-7-18(16)25-19)27-13-20(26)24-12-15-5-3-4-10-23-15/h3-5,8-11H,1-2,6-7,12-13H2,(H,24,26)
InChIKeyBXKJRSQNPFQMDG-UHFFFAOYSA-N
XLogP4.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide (CID 6622143) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccccn1.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BXKJRSQNPFQMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c22-14-8-9-19-17(11-14)21(16-6-1-2-7-18(16)25-19)27-13-20(26)24-12-15-5-3-4-10-23-15/h3-5,8-11H,1-2,6-7,12-13H2,(H,24,26).
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 397.93 g/mol, XLogP of 4.57, 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 6622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).