N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

C16H11FN2O3S — CID 7254819

IUPACN-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11FN2O3S/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22)
InChIKeyXYPDGVGVSPBCDZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.44
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 7254819) has the molecular formula C16H11FN2O3S and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID7254819
Molecular FormulaC16H11FN2O3S
Molecular Weight330.34 g/mol
Exact Mass330.05
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C16H11FN2O3S/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22)
InChIKeyXYPDGVGVSPBCDZ-UHFFFAOYSA-N
XLogP2.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 7254819) is N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is XYPDGVGVSPBCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3S/c17-9-1-4-11(5-2-9)23-8-14(20)18-10-3-6-12-13(7-10)16(22)19-15(12)21/h1-7H,8H2,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 330.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7254819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).