2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

C18H13FN2O4S — CID 1416734

IUPAC2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O4S/c19-12-5-7-13(8-6-12)20-16(22)10-25-14-4-2-1-3-11(14)9-15-17(23)21-18(24)26-15/h1-9H,10H2,(H,20,22)(H,21,23,24)/b15-9-
InChIKeyOREVLWPOWURGMU-DHDCSXOGSA-N
MW372.38 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide

2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 1416734) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID1416734
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC Name2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O4S/c19-12-5-7-13(8-6-12)20-16(22)10-25-14-4-2-1-3-11(14)9-15-17(23)21-18(24)26-15/h1-9H,10H2,(H,20,22)(H,21,23,24)/b15-9-
InChIKeyOREVLWPOWURGMU-DHDCSXOGSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide (CID 1416734) is 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is OREVLWPOWURGMU-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-12-5-7-13(8-6-12)20-16(22)10-25-14-4-2-1-3-11(14)9-15-17(23)21-18(24)26-15/h1-9H,10H2,(H,20,22)(H,21,23,24)/b15-9-.
What are the key properties of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 372.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1416734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).