2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide

C14H17F2NOS — CID 162676071

IUPAC2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C14H17F2NOS/c15-11-6-3-7-12(16)10(11)8-19-13(14(17)18)9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H2,17,18)
InChIKeyLIBCZBDPDGAIRX-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.24
Rot. Bonds5

About 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide

2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide (PubChem CID 162676071) has the molecular formula C14H17F2NOS and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide
PubChem CID162676071
Molecular FormulaC14H17F2NOS
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide
SMILESNC(=O)C(SCc1c(F)cccc1F)C1CCCC1
InChIInChI=1S/C14H17F2NOS/c15-11-6-3-7-12(16)10(11)8-19-13(14(17)18)9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H2,17,18)
InChIKeyLIBCZBDPDGAIRX-UHFFFAOYSA-N
XLogP3.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide (CID 162676071) is 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide is NC(=O)C(SCc1c(F)cccc1F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide?
The InChIKey is LIBCZBDPDGAIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS/c15-11-6-3-7-12(16)10(11)8-19-13(14(17)18)9-4-1-2-5-9/h3,6-7,9,13H,1-2,4-5,8H2,(H2,17,18).
What are the key properties of 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide?
2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide has a molecular weight of 285.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[(2,6-difluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 162676071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).