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

C22H27ClN2OS — CID 20867723

IUPAC2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1
InChIInChI=1S/C22H27ClN2OS/c1-14-6-9-16(10-7-14)24-21(26)13-27-22-17-4-2-3-5-19(17)25-20-12-15(23)8-11-18(20)22/h8,11-12,14,16H,2-7,9-10,13H2,1H3,(H,24,26)
InChIKeyOOOSZGUBWPSEOV-UHFFFAOYSA-N
MW402.99 g/mol
LogP5.55
Rot. Bonds4

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

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 20867723) has the molecular formula C22H27ClN2OS and a molecular weight of 402.99 g/mol. Its IUPAC name is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
PubChem CID20867723
Molecular FormulaC22H27ClN2OS
Molecular Weight402.99 g/mol
Exact Mass402.15
IUPAC Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)CC1
InChIInChI=1S/C22H27ClN2OS/c1-14-6-9-16(10-7-14)24-21(26)13-27-22-17-4-2-3-5-19(17)25-20-12-15(23)8-11-18(20)22/h8,11-12,14,16H,2-7,9-10,13H2,1H3,(H,24,26)
InChIKeyOOOSZGUBWPSEOV-UHFFFAOYSA-N
XLogP5.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.99
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
CID 131842042
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 20858281
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20867716
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20867703
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858397
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 78831023
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-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-pyridin-3-ylacetamide
CID 20858337

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide (CID 20867723) is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(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-methylcyclohexyl)acetamide?
The InChIKey is OOOSZGUBWPSEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2OS/c1-14-6-9-16(10-7-14)24-21(26)13-27-22-17-4-2-3-5-19(17)25-20-12-15(23)8-11-18(20)22/h8,11-12,14,16H,2-7,9-10,13H2,1H3,(H,24,26).
What are the key properties of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide?
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 402.99 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylcyclohexyl)acetamide is sourced from PubChem (CID 20867723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).