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

C22H20Cl2N2OS — CID 20858397

IUPACN-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2OS/c1-13-6-8-20(17(24)10-13)26-21(27)12-28-22-15-4-2-3-5-18(15)25-19-9-7-14(23)11-16(19)22/h6-11H,2-5,12H2,1H3,(H,26,27)
InChIKeyXBALKRASJVMHFX-UHFFFAOYSA-N
MW431.39 g/mol
LogP6.46
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (PubChem CID 20858397) has the molecular formula C22H20Cl2N2OS and a molecular weight of 431.39 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
PubChem CID20858397
Molecular FormulaC22H20Cl2N2OS
Molecular Weight431.39 g/mol
Exact Mass430.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2OS/c1-13-6-8-20(17(24)10-13)26-21(27)12-28-22-15-4-2-3-5-18(15)25-19-9-7-14(23)11-16(19)22/h6-11H,2-5,12H2,1H3,(H,26,27)
InChIKeyXBALKRASJVMHFX-UHFFFAOYSA-N
XLogP6.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
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-pyridin-3-ylacetamide
CID 20858337
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-(2,3-dimethylcyclohexyl)acetamide
CID 20858281
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
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-cyclopropylacetamide
CID 131842042
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-(N-ethylanilino)propyl]acetamide
CID 20858307
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methylcyclohexyl)acetamide
CID 20867723
N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135680917

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (CID 20858397) is N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2c3c(nc4ccc(Cl)cc24)CCCC3)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The InChIKey is XBALKRASJVMHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2OS/c1-13-6-8-20(17(24)10-13)26-21(27)12-28-22-15-4-2-3-5-18(15)25-19-9-7-14(23)11-16(19)22/h6-11H,2-5,12H2,1H3,(H,26,27).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide has a molecular weight of 431.39 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is sourced from PubChem (CID 20858397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).