N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide

C19H24N2OS — CID 3207992

IUPACN-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2cc(C)ccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H24N2OS/c1-3-14-11-15-10-13(2)8-9-17(15)21-19(14)23-12-18(22)20-16-6-4-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyABXDNAIJMIBLMB-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.26
Rot. Bonds5

About N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 3207992) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide
PubChem CID3207992
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2cc(C)ccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C19H24N2OS/c1-3-14-11-15-10-13(2)8-9-17(15)21-19(14)23-12-18(22)20-16-6-4-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,20,22)
InChIKeyABXDNAIJMIBLMB-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.26
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-ethyl-6-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide (CID 3207992) is N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide is CCc1cc2cc(C)ccc2nc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ABXDNAIJMIBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-14-11-15-10-13(2)8-9-17(15)21-19(14)23-12-18(22)20-16-6-4-5-7-16/h8-11,16H,3-7,12H2,1-2H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 328.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-ethyl-6-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3207992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).