2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

C10H11FN2O2S — CID 2803273

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyXIWFXWLWDYFVFK-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.98
Rot. Bonds5

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 2803273) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID2803273
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESNC(=O)CSCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15)
InChIKeyXIWFXWLWDYFVFK-UHFFFAOYSA-N
XLogP0.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (CID 2803273) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is NC(=O)CSCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is XIWFXWLWDYFVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c11-7-1-3-8(4-2-7)13-10(15)6-16-5-9(12)14/h1-4H,5-6H2,(H2,12,14)(H,13,15).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 242.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 2803273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).