N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

C17H20N2OS — CID 861738

IUPACN-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCC2)nc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-12-10-17(19-15-9-5-4-8-14(12)15)21-11-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,18,20)
InChIKeyBWBMGTRLLWTXGB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.69
Rot. Bonds4

About N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 861738) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID861738
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCC2)nc2ccccc12
InChIInChI=1S/C17H20N2OS/c1-12-10-17(19-15-9-5-4-8-14(12)15)21-11-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,18,20)
InChIKeyBWBMGTRLLWTXGB-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 861738) is N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NC2CCCC2)nc2ccccc12.
What is the InChIKey of N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is BWBMGTRLLWTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-10-17(19-15-9-5-4-8-14(12)15)21-11-16(20)18-13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 300.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 861738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).