2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C24H25ClN2OS — CID 20858393

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C24H25ClN2OS/c1-3-16-8-6-7-15(2)23(16)27-22(28)14-29-24-18-9-4-5-10-20(18)26-21-12-11-17(25)13-19(21)24/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,27,28)
InChIKeyUVHWVGXZSYFWLR-UHFFFAOYSA-N
MW425.00 g/mol
LogP6.37
Rot. Bonds5

About 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 20858393) has the molecular formula C24H25ClN2OS and a molecular weight of 425.00 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID20858393
Molecular FormulaC24H25ClN2OS
Molecular Weight425.00 g/mol
Exact Mass424.14
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C24H25ClN2OS/c1-3-16-8-6-7-15(2)23(16)27-22(28)14-29-24-18-9-4-5-10-20(18)26-21-12-11-17(25)13-19(21)24/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,27,28)
InChIKeyUVHWVGXZSYFWLR-UHFFFAOYSA-N
XLogP6.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 20858393) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is UVHWVGXZSYFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2OS/c1-3-16-8-6-7-15(2)23(16)27-22(28)14-29-24-18-9-4-5-10-20(18)26-21-12-11-17(25)13-19(21)24/h6-8,11-13H,3-5,9-10,14H2,1-2H3,(H,27,28).
What are the key properties of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 425.00 g/mol, XLogP of 6.37, 5 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-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 20858393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).