2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

C14H13FN2OS — CID 47005105

IUPAC2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCc1ccccn1
InChIInChI=1S/C14H13FN2OS/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18)
InChIKeyTVDOMOYVMCHPNP-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds5

About 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 47005105) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID47005105
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccccc1F)NCc1ccccn1
InChIInChI=1S/C14H13FN2OS/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18)
InChIKeyTVDOMOYVMCHPNP-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-(2-fluorophenyl)ethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95316732
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
2-(2-fluorophenyl)sulfanyl-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107232672
2-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 4781382
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(2-pyridin-2-ylethyl)acetamide
CID 51164073
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 3244915
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 51108679

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide (CID 47005105) is 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1ccccc1F)NCc1ccccn1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is TVDOMOYVMCHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-12-6-1-2-7-13(12)19-10-14(18)17-9-11-5-3-4-8-16-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide?
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 47005105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).