N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide

C18H22N2OS — CID 857648

IUPACN-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C18H22N2OS/c1-2-13-11-14-7-3-6-10-16(14)20-18(13)22-12-17(21)19-15-8-4-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H,19,21)
InChIKeyHDOBWCFBRBXORL-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.95
Rot. Bonds5

About N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide (PubChem CID 857648) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
PubChem CID857648
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
SMILESCCc1cc2ccccc2nc1SCC(=O)NC1CCCC1
InChIInChI=1S/C18H22N2OS/c1-2-13-11-14-7-3-6-10-16(14)20-18(13)22-12-17(21)19-15-8-4-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H,19,21)
InChIKeyHDOBWCFBRBXORL-UHFFFAOYSA-N
XLogP3.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.95
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-ethylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide (CID 857648) is N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide is CCc1cc2ccccc2nc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
The InChIKey is HDOBWCFBRBXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-2-13-11-14-7-3-6-10-16(14)20-18(13)22-12-17(21)19-15-8-4-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.95, 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-ethylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 857648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).