2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

C20H17FN2OS2 — CID 52803481

IUPAC2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C20H17FN2OS2/c21-17-8-1-2-9-18(17)25-14-19(24)23-16-7-5-6-15(12-16)13-26-20-10-3-4-11-22-20/h1-12H,13-14H2,(H,23,24)
InChIKeyYGGXTAGYGHSFJG-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.24
Rot. Bonds7

About 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide

2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (PubChem CID 52803481) has the molecular formula C20H17FN2OS2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
PubChem CID52803481
Molecular FormulaC20H17FN2OS2
Molecular Weight384.50 g/mol
Exact Mass384.08
IUPAC Name2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc(CSc2ccccn2)c1
InChIInChI=1S/C20H17FN2OS2/c21-17-8-1-2-9-18(17)25-14-19(24)23-16-7-5-6-15(12-16)13-26-20-10-3-4-11-22-20/h1-12H,13-14H2,(H,23,24)
InChIKeyYGGXTAGYGHSFJG-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]propanamide
CID 47002665
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 60608009
N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554669
2-[2-hydroxyethyl(2-phenylethyl)amino]-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 86942896
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
CID 63651197
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670571
methyl 2-fluoro-5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzoate
CID 3691695
2-(4-fluorophenyl)-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 56554792
1-[1-(2-chlorophenyl)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554405

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide (CID 52803481) is 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is O=C(CSc1ccccc1F)Nc1cccc(CSc2ccccn2)c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
The InChIKey is YGGXTAGYGHSFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS2/c21-17-8-1-2-9-18(17)25-14-19(24)23-16-7-5-6-15(12-16)13-26-20-10-3-4-11-22-20/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide?
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 52803481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).