N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C23H23N3O5S — CID 55973768

IUPACN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C23H23N3O5S/c27-20(17-9-4-5-12-25(17)21(28)18-10-6-14-31-18)24-11-13-26-22(29)19(32-23(26)30)15-16-7-2-1-3-8-16/h1-3,6-8,10,14-15,17H,4-5,9,11-13H2,(H,24,27)/b19-15+
InChIKeyCKPQZTNSLXBLFT-XDJHFCHBSA-N
MW453.52 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55973768) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID55973768
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C23H23N3O5S/c27-20(17-9-4-5-12-25(17)21(28)18-10-6-14-31-18)24-11-13-26-22(29)19(32-23(26)30)15-16-7-2-1-3-8-16/h1-3,6-8,10,14-15,17H,4-5,9,11-13H2,(H,24,27)/b19-15+
InChIKeyCKPQZTNSLXBLFT-XDJHFCHBSA-N
XLogP3.13
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]cyclopropanecarboxamide
CID 26186571
1-(furan-2-carbonyl)-N-(3-phenothiazin-10-ylpropyl)piperidine-2-carboxamide
CID 55966453
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
N-[2-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30686326
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
N-[2-[(5E)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55884317
N-[2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylacetamide
CID 3422835
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]furan-2-carboxamide
CID 26186694
N-[5-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55517581
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55973768) is N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is CKPQZTNSLXBLFT-XDJHFCHBSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-20(17-9-4-5-12-25(17)21(28)18-10-6-14-31-18)24-11-13-26-22(29)19(32-23(26)30)15-16-7-2-1-3-8-16/h1-3,6-8,10,14-15,17H,4-5,9,11-13H2,(H,24,27)/b19-15+.
What are the key properties of N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55973768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).