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

C20H19ClN2O2S — CID 6619472

IUPAC2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1
InChIInChI=1S/C20H19ClN2O2S/c21-13-7-8-18-16(10-13)20(15-5-1-2-6-17(15)23-18)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)
InChIKeyHLRNIQDTJHUKJW-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.77
Rot. Bonds5

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

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 6619472) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID6619472
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1
InChIInChI=1S/C20H19ClN2O2S/c21-13-7-8-18-16(10-13)20(15-5-1-2-6-17(15)23-18)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)
InChIKeyHLRNIQDTJHUKJW-UHFFFAOYSA-N
XLogP4.77
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 6619472) is 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1.
What is the InChIKey of 2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HLRNIQDTJHUKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-13-7-8-18-16(10-13)20(15-5-1-2-6-17(15)23-18)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-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 386.90 g/mol, XLogP of 4.77, 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-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 6619472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).