2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide

C12H13FN2O2S — CID 56765680

IUPAC2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)CSc2ccc(F)cc2)CN1
InChIInChI=1S/C12H13FN2O2S/c13-8-1-3-10(4-2-8)18-7-12(17)15-9-5-11(16)14-6-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17)
InChIKeyHXHALDMQLLAEFZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide (PubChem CID 56765680) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide
PubChem CID56765680
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)CSc2ccc(F)cc2)CN1
InChIInChI=1S/C12H13FN2O2S/c13-8-1-3-10(4-2-8)18-7-12(17)15-9-5-11(16)14-6-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17)
InChIKeyHXHALDMQLLAEFZ-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide (CID 56765680) is 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide is O=C1CC(NC(=O)CSc2ccc(F)cc2)CN1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is HXHALDMQLLAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-8-1-3-10(4-2-8)18-7-12(17)15-9-5-11(16)14-6-9/h1-4,9H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 56765680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).