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

C13H19NO2S — CID 5298618

IUPACN-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NC1CCCCC1
InChIInChI=1S/C13H19NO2S/c15-13(14-11-5-2-1-3-6-11)10-17-9-12-7-4-8-16-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,15)
InChIKeyFTRMPRZDMUMHJS-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.96
Rot. Bonds5

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

N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 5298618) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID5298618
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NC1CCCCC1
InChIInChI=1S/C13H19NO2S/c15-13(14-11-5-2-1-3-6-11)10-17-9-12-7-4-8-16-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,15)
InChIKeyFTRMPRZDMUMHJS-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide (CID 5298618) is N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is FTRMPRZDMUMHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c15-13(14-11-5-2-1-3-6-11)10-17-9-12-7-4-8-16-12/h4,7-8,11H,1-3,5-6,9-10H2,(H,14,15).
What are the key properties of N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide?
N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 5298618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).