3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

C25H24FN3O2S — CID 162757961

IUPAC3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1cc(F)cc(C2SCC(=O)N2c2ccccn2)c1
InChIInChI=1S/C25H24FN3O2S/c26-21-15-19(24(31)28-13-6-4-10-18-8-2-1-3-9-18)14-20(16-21)25-29(23(30)17-32-25)22-11-5-7-12-27-22/h1-3,5,7-9,11-12,14-16,25H,4,6,10,13,17H2,(H,28,31)
InChIKeyRQKYCBRAYWSVRG-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.75
Rot. Bonds8

About 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide

3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide (PubChem CID 162757961) has the molecular formula C25H24FN3O2S and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide
PubChem CID162757961
Molecular FormulaC25H24FN3O2S
Molecular Weight449.55 g/mol
Exact Mass449.16
IUPAC Name3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide
SMILESO=C(NCCCCc1ccccc1)c1cc(F)cc(C2SCC(=O)N2c2ccccn2)c1
InChIInChI=1S/C25H24FN3O2S/c26-21-15-19(24(31)28-13-6-4-10-18-8-2-1-3-9-18)14-20(16-21)25-29(23(30)17-32-25)22-11-5-7-12-27-22/h1-3,5,7-9,11-12,14-16,25H,4,6,10,13,17H2,(H,28,31)
InChIKeyRQKYCBRAYWSVRG-UHFFFAOYSA-N
XLogP4.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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US10844044, Example 318
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide?
The IUPAC name of 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide (CID 162757961) is 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide.
What is the SMILES notation for 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide?
The canonical SMILES for 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide is O=C(NCCCCc1ccccc1)c1cc(F)cc(C2SCC(=O)N2c2ccccn2)c1.
What is the InChIKey of 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide?
The InChIKey is RQKYCBRAYWSVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2S/c26-21-15-19(24(31)28-13-6-4-10-18-8-2-1-3-9-18)14-20(16-21)25-29(23(30)17-32-25)22-11-5-7-12-27-22/h1-3,5,7-9,11-12,14-16,25H,4,6,10,13,17H2,(H,28,31).
What are the key properties of 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide?
3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide has a molecular weight of 449.55 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-oxo-3-pyridin-2-yl-1,3-thiazolidin-2-yl)-N-(4-phenylbutyl)benzamide is sourced from PubChem (CID 162757961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).