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

C18H19ClN2OS — CID 131842042

IUPAC2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NC1CC1
InChIInChI=1S/C18H19ClN2OS/c19-11-5-8-14-16(9-11)21-15-4-2-1-3-13(15)18(14)23-10-17(22)20-12-6-7-12/h5,8-9,12H,1-4,6-7,10H2,(H,20,22)
InChIKeyBEGQCACYILZUDJ-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.14
Rot. Bonds4

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

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide (PubChem CID 131842042) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
PubChem CID131842042
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NC1CC1
InChIInChI=1S/C18H19ClN2OS/c19-11-5-8-14-16(9-11)21-15-4-2-1-3-13(15)18(14)23-10-17(22)20-12-6-7-12/h5,8-9,12H,1-4,6-7,10H2,(H,20,22)
InChIKeyBEGQCACYILZUDJ-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide (CID 131842042) is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide is O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NC1CC1.
What is the InChIKey of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide?
The InChIKey is BEGQCACYILZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-11-5-8-14-16(9-11)21-15-4-2-1-3-13(15)18(14)23-10-17(22)20-12-6-7-12/h5,8-9,12H,1-4,6-7,10H2,(H,20,22).
What are the key properties of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide?
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide has a molecular weight of 346.88 g/mol, XLogP of 4.14, 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-cyclopropylacetamide is sourced from PubChem (CID 131842042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).