N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide

C19H22N2OS — CID 2463036

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCCC1=CCCCC1
InChIInChI=1S/C19H22N2OS/c22-18(20-13-12-15-6-2-1-3-7-15)14-23-19-11-10-16-8-4-5-9-17(16)21-19/h4-6,8-11H,1-3,7,12-14H2,(H,20,22)
InChIKeyVYPKSGOBHUYNKF-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.33
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide (PubChem CID 2463036) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
PubChem CID2463036
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccc2ccccc2n1)NCCC1=CCCCC1
InChIInChI=1S/C19H22N2OS/c22-18(20-13-12-15-6-2-1-3-7-15)14-23-19-11-10-16-8-4-5-9-17(16)21-19/h4-6,8-11H,1-3,7,12-14H2,(H,20,22)
InChIKeyVYPKSGOBHUYNKF-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 53366362
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 16500215
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
2-[(3-amino-2-pyridinyl)sulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 43300568
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-methoxyphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 53088975
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(4-fluorophenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]acetamide
CID 22579101
N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42092226
2-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide (CID 2463036) is N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide is O=C(CSc1ccc2ccccc2n1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is VYPKSGOBHUYNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c22-18(20-13-12-15-6-2-1-3-7-15)14-23-19-11-10-16-8-4-5-9-17(16)21-19/h4-6,8-11H,1-3,7,12-14H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 326.46 g/mol, XLogP of 4.33, 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-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 2463036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).