N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide

C21H24N2O2S2 — CID 25284430

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C21H24N2O2S2/c24-19(17-9-5-2-6-10-17)15-27-21-23-18(14-26-21)13-20(25)22-12-11-16-7-3-1-4-8-16/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25)
InChIKeyINJPXILABYOIHB-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.67
Rot. Bonds9

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide (PubChem CID 25284430) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide
PubChem CID25284430
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C21H24N2O2S2/c24-19(17-9-5-2-6-10-17)15-27-21-23-18(14-26-21)13-20(25)22-12-11-16-7-3-1-4-8-16/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25)
InChIKeyINJPXILABYOIHB-UHFFFAOYSA-N
XLogP4.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18135510
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898845
N-[2-(cyclohexen-1-yl)ethyl]-3-phenacylsulfanylbenzamide
CID 84557098
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2568377
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 25284474
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 16898720
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16612688
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 8858174
N-[2-(cyclohexen-1-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 2463036
ethyl 2-[2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8605844

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide (CID 25284430) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is INJPXILABYOIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c24-19(17-9-5-2-6-10-17)15-27-21-23-18(14-26-21)13-20(25)22-12-11-16-7-3-1-4-8-16/h2,5-7,9-10,14H,1,3-4,8,11-13,15H2,(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 400.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 25284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).