2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C17H13FN2O3S — CID 7254796

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C17H13FN2O3S/c1-20-16(22)13-7-4-11(8-14(13)17(20)23)19-15(21)9-24-12-5-2-10(18)3-6-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeySSVHOIHZQYOCRM-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 7254796) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID7254796
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C17H13FN2O3S/c1-20-16(22)13-7-4-11(8-14(13)17(20)23)19-15(21)9-24-12-5-2-10(18)3-6-12/h2-8H,9H2,1H3,(H,19,21)
InChIKeySSVHOIHZQYOCRM-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 7254796) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is SSVHOIHZQYOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-20-16(22)13-7-4-11(8-14(13)17(20)23)19-15(21)9-24-12-5-2-10(18)3-6-12/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 7254796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).