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

C17H23NOS — CID 2175467

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H23NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)
InChIKeyWLGTZTHZVHNZDX-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.09
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 2175467) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID2175467
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C17H23NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)
InChIKeyWLGTZTHZVHNZDX-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide (CID 2175467) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is WLGTZTHZVHNZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-14-7-9-16(10-8-14)20-13-17(19)18-12-11-15-5-3-2-4-6-15/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 289.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 2175467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).