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

C20H19ClN2OS2 — CID 20867703

IUPAC2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCc1cccs1
InChIInChI=1S/C20H19ClN2OS2/c21-13-7-8-16-18(10-13)23-17-6-2-1-5-15(17)20(16)26-12-19(24)22-11-14-4-3-9-25-14/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,24)
InChIKeyGDYCITVZMMGKPE-UHFFFAOYSA-N
MW402.97 g/mol
LogP5.24
Rot. Bonds5

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

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 20867703) has the molecular formula C20H19ClN2OS2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID20867703
Molecular FormulaC20H19ClN2OS2
Molecular Weight402.97 g/mol
Exact Mass402.06
IUPAC Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCc1cccs1
InChIInChI=1S/C20H19ClN2OS2/c21-13-7-8-16-18(10-13)23-17-6-2-1-5-15(17)20(16)26-12-19(24)22-11-14-4-3-9-25-14/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,24)
InChIKeyGDYCITVZMMGKPE-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(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-(4-methylcyclohexyl)acetamide
CID 20867723
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
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-(N-ethylanilino)propyl]acetamide
CID 20858307
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858273
2-[7-chloro-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 40880767
N-butyl-2-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)acetamide
CID 5323070
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 20858277
2-[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 46396840

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 20867703) is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCc1cccs1.
What is the InChIKey of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GDYCITVZMMGKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS2/c21-13-7-8-16-18(10-13)23-17-6-2-1-5-15(17)20(16)26-12-19(24)22-11-14-4-3-9-25-14/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,24).
What are the key properties of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 402.97 g/mol, XLogP of 5.24, 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 20867703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).