N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide

C18H22N2OS — CID 861889

IUPACN-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1
InChIInChI=1S/C18H22N2OS/c1-12-7-8-16-14(9-12)10-13(2)18(20-16)22-11-17(21)19-15-5-3-4-6-15/h7-10,15H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyFAKLDGNUYWGDFQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.00
Rot. Bonds4

About N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide (PubChem CID 861889) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide
PubChem CID861889
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide
SMILESCc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1
InChIInChI=1S/C18H22N2OS/c1-12-7-8-16-14(9-12)10-13(2)18(20-16)22-11-17(21)19-15-5-3-4-6-15/h7-10,15H,3-6,11H2,1-2H3,(H,19,21)
InChIKeyFAKLDGNUYWGDFQ-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide (CID 861889) is N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide is Cc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1.
What is the InChIKey of N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is FAKLDGNUYWGDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-7-8-16-14(9-12)10-13(2)18(20-16)22-11-17(21)19-15-5-3-4-6-15/h7-10,15H,3-6,11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 314.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 861889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).