N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide

C17H13FN2O3S — CID 7254892

IUPACN-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C17H13FN2O3S/c18-10-4-6-11(7-5-10)24-9-8-14(21)19-13-3-1-2-12-15(13)17(23)20-16(12)22/h1-7H,8-9H2,(H,19,21)(H,20,22,23)
InChIKeyVJEYMVZPHIFPDL-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.83
Rot. Bonds5

About N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide

N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7254892) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7254892
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C17H13FN2O3S/c18-10-4-6-11(7-5-10)24-9-8-14(21)19-13-3-1-2-12-15(13)17(23)20-16(12)22/h1-7H,8-9H2,(H,19,21)(H,20,22,23)
InChIKeyVJEYMVZPHIFPDL-UHFFFAOYSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.83
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-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 7254892) is N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is VJEYMVZPHIFPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-10-4-6-11(7-5-10)24-9-8-14(21)19-13-3-1-2-12-15(13)17(23)20-16(12)22/h1-7H,8-9H2,(H,19,21)(H,20,22,23).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 344.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7254892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).