N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

C22H21FN2O4S — CID 4963554

IUPACN-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCCC(C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H21FN2O4S/c1-3-14(2)24-20(27)13-25-21(12-17(26)18-5-4-10-29-18)30-19(22(25)28)11-15-6-8-16(23)9-7-15/h4-12,14H,3,13H2,1-2H3,(H,24,27)
InChIKeyFGKGHLYFYNPASA-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.05
Rot. Bonds7

About N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide

N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 4963554) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID4963554
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCCC(C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H21FN2O4S/c1-3-14(2)24-20(27)13-25-21(12-17(26)18-5-4-10-29-18)30-19(22(25)28)11-15-6-8-16(23)9-7-15/h4-12,14H,3,13H2,1-2H3,(H,24,27)
InChIKeyFGKGHLYFYNPASA-UHFFFAOYSA-N
XLogP2.05
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 4963554) is N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is CCC(C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is FGKGHLYFYNPASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-3-14(2)24-20(27)13-25-21(12-17(26)18-5-4-10-29-18)30-19(22(25)28)11-15-6-8-16(23)9-7-15/h4-12,14H,3,13H2,1-2H3,(H,24,27).
What are the key properties of N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide?
N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 4963554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).