2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide

C17H17FN2O3S — CID 8010344

IUPAC2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)SC(=C2CCCCC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-12-6-8-13(9-7-12)19-14(21)10-20-16(22)15(24-17(20)23)11-4-2-1-3-5-11/h6-9H,1-5,10H2,(H,19,21)
InChIKeyAUNIKBVNPPFIQU-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.68
Rot. Bonds3

About 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide

2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 8010344) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID8010344
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1C(=O)SC(=C2CCCCC2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3S/c18-12-6-8-13(9-7-12)19-14(21)10-20-16(22)15(24-17(20)23)11-4-2-1-3-5-11/h6-9H,1-5,10H2,(H,19,21)
InChIKeyAUNIKBVNPPFIQU-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminosulfanylphenyl)-2-[5-(4,4-dichlorocyclohexylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 145048853
2-[5-(4,4-difluorocyclohexylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 118960814
N-(4-fluorophenyl)-2-[(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1228063
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 16631973
2-[5-(4-chloro-4-isocyanocyclohexylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 171431832
2-[5-(4-chloro-4-cyanocyclohexylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)acetamide
CID 118960678
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-fluorophenyl)acetamide
CID 7336702
N-(4-fluorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110858692
2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-(4-fluorophenyl)acetamide
CID 7014575
N-(4-fluorophenyl)-2-[(5Z)-5-[(2-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632028
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632035
2-[(5E)-2,4-dioxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 1232368

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide (CID 8010344) is 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide is O=C(CN1C(=O)SC(=C2CCCCC2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is AUNIKBVNPPFIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-12-6-8-13(9-7-12)19-14(21)10-20-16(22)15(24-17(20)23)11-4-2-1-3-5-11/h6-9H,1-5,10H2,(H,19,21).
What are the key properties of 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide?
2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8010344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).