2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide

C20H14F4N2OS — CID 59097023

IUPAC2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F4N2OS/c21-15-8-10-16(11-9-15)28-18(19(27)26-17-3-1-2-12-25-17)13-4-6-14(7-5-13)20(22,23)24/h1-12,18H,(H,25,26,27)
InChIKeyJLZVHROVGQJHHZ-UHFFFAOYSA-N
MW406.40 g/mol
LogP5.71
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 59097023) has the molecular formula C20H14F4N2OS and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID59097023
Molecular FormulaC20H14F4N2OS
Molecular Weight406.40 g/mol
Exact Mass406.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14F4N2OS/c21-15-8-10-16(11-9-15)28-18(19(27)26-17-3-1-2-12-25-17)13-4-6-14(7-5-13)20(22,23)24/h1-12,18H,(H,25,26,27)
InChIKeyJLZVHROVGQJHHZ-UHFFFAOYSA-N
XLogP5.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 59097023) is 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccccn1)C(Sc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JLZVHROVGQJHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2OS/c21-15-8-10-16(11-9-15)28-18(19(27)26-17-3-1-2-12-25-17)13-4-6-14(7-5-13)20(22,23)24/h1-12,18H,(H,25,26,27).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 406.40 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 59097023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).