2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide

C19H14F2N2OS — CID 59097046

IUPAC2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2OS/c20-14-6-4-13(5-7-14)18(25-16-10-8-15(21)9-11-16)19(24)23-17-3-1-2-12-22-17/h1-12,18H,(H,22,23,24)
InChIKeyGZSJOTRZJJBLOJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.83
Rot. Bonds5

About 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide

2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide (PubChem CID 59097046) has the molecular formula C19H14F2N2OS and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide
PubChem CID59097046
Molecular FormulaC19H14F2N2OS
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H14F2N2OS/c20-14-6-4-13(5-7-14)18(25-16-10-8-15(21)9-11-16)19(24)23-17-3-1-2-12-22-17/h1-12,18H,(H,22,23,24)
InChIKeyGZSJOTRZJJBLOJ-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide (CID 59097046) is 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide?
The InChIKey is GZSJOTRZJJBLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2OS/c20-14-6-4-13(5-7-14)18(25-16-10-8-15(21)9-11-16)19(24)23-17-3-1-2-12-22-17/h1-12,18H,(H,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide?
2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide has a molecular weight of 356.40 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(4-fluorophenyl)sulfanyl-N-pyridin-2-ylacetamide is sourced from PubChem (CID 59097046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).