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

C12H17NO2S — CID 2375381

IUPACN-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NC1CCCC1
InChIInChI=1S/C12H17NO2S/c14-12(13-10-4-1-2-5-10)9-16-8-11-6-3-7-15-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyDINUMOCYIBYDSI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.57
Rot. Bonds5

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

N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 2375381) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID2375381
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1ccco1)NC1CCCC1
InChIInChI=1S/C12H17NO2S/c14-12(13-10-4-1-2-5-10)9-16-8-11-6-3-7-15-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14)
InChIKeyDINUMOCYIBYDSI-UHFFFAOYSA-N
XLogP2.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide (CID 2375381) is N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide is O=C(CSCc1ccco1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is DINUMOCYIBYDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-12(13-10-4-1-2-5-10)9-16-8-11-6-3-7-15-11/h3,6-7,10H,1-2,4-5,8-9H2,(H,13,14).
What are the key properties of N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide?
N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 239.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 2375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).