N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide

C15H15FN2OS — CID 9347617

IUPACN-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCCc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c16-13-6-2-1-5-12(13)8-10-17-14(19)11-20-15-7-3-4-9-18-15/h1-7,9H,8,10-11H2,(H,17,19)
InChIKeyKVKCXEIVADVGJG-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide

N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 9347617) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
PubChem CID9347617
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCCc1ccccc1F
InChIInChI=1S/C15H15FN2OS/c16-13-6-2-1-5-12(13)8-10-17-14(19)11-20-15-7-3-4-9-18-15/h1-7,9H,8,10-11H2,(H,17,19)
InChIKeyKVKCXEIVADVGJG-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylacetamide
CID 110696924
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8567177
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
2-pyridin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 16530327

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide (CID 9347617) is N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is KVKCXEIVADVGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-13-6-2-1-5-12(13)8-10-17-14(19)11-20-15-7-3-4-9-18-15/h1-7,9H,8,10-11H2,(H,17,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide?
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 290.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 9347617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).