N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

C20H24N2OS — CID 2400348

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCCC2=CCCCC2)nc2ccccc12
InChIInChI=1S/C20H24N2OS/c1-15-13-20(22-18-10-6-5-9-17(15)18)24-14-19(23)21-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,21,23)
InChIKeyXBEZOSIFDWIOMO-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 2400348) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID2400348
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NCCC2=CCCCC2)nc2ccccc12
InChIInChI=1S/C20H24N2OS/c1-15-13-20(22-18-10-6-5-9-17(15)18)24-14-19(23)21-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,21,23)
InChIKeyXBEZOSIFDWIOMO-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 2400348) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NCCC2=CCCCC2)nc2ccccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is XBEZOSIFDWIOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-15-13-20(22-18-10-6-5-9-17(15)18)24-14-19(23)21-12-11-16-7-3-2-4-8-16/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 340.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2400348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).