N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide

C15H23NO2S — CID 2374452

IUPACN-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCc1ccco1)C1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-2-16(13-7-4-3-5-8-13)15(17)12-19-11-14-9-6-10-18-14/h6,9-10,13H,2-5,7-8,11-12H2,1H3
InChIKeyFJRKBYSWYZWLTA-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.69
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide

N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 2374452) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID2374452
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCCN(C(=O)CSCc1ccco1)C1CCCCC1
InChIInChI=1S/C15H23NO2S/c1-2-16(13-7-4-3-5-8-13)15(17)12-19-11-14-9-6-10-18-14/h6,9-10,13H,2-5,7-8,11-12H2,1H3
InChIKeyFJRKBYSWYZWLTA-UHFFFAOYSA-N
XLogP3.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide (CID 2374452) is N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide is CCN(C(=O)CSCc1ccco1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is FJRKBYSWYZWLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-16(13-7-4-3-5-8-13)15(17)12-19-11-14-9-6-10-18-14/h6,9-10,13H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide?
N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 281.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 2374452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).