2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide

C14H11F2NOS — CID 18139524

IUPAC2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C14H11F2NOS/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18)
InChIKeyNCDDLBGFBLUVKI-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.28
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide

2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide (PubChem CID 18139524) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide
PubChem CID18139524
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C14H11F2NOS/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18)
InChIKeyNCDDLBGFBLUVKI-UHFFFAOYSA-N
XLogP3.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide (CID 18139524) is 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide is NC(=O)C(Sc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide?
The InChIKey is NCDDLBGFBLUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide?
2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide has a molecular weight of 279.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 18139524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).