(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide

C24H20N2O2S — CID 42804068

IUPAC(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c27-22(16-11-18-7-3-1-4-8-18)25-20-14-12-19(13-15-20)24-26(23(28)17-29-24)21-9-5-2-6-10-21/h1-16,24H,17H2,(H,25,27)/b16-11+
InChIKeyOISVMYXBFRJSEU-LFIBNONCSA-N
MW400.50 g/mol
LogP5.12
Rot. Bonds5

About (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 42804068) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID42804068
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2S/c27-22(16-11-18-7-3-1-4-8-18)25-20-14-12-19(13-15-20)24-26(23(28)17-29-24)21-9-5-2-6-10-21/h1-16,24H,17H2,(H,25,27)/b16-11+
InChIKeyOISVMYXBFRJSEU-LFIBNONCSA-N
XLogP5.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-phenylprop-2-enamide
CID 42806219
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93123921
N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
CID 93127787
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 5080347
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
N-[4-[3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 24715605
N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
CID 46132819
N-[4-[(2S)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93127142

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide (CID 42804068) is (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is OISVMYXBFRJSEU-LFIBNONCSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-22(16-11-18-7-3-1-4-8-18)25-20-14-12-19(13-15-20)24-26(23(28)17-29-24)21-9-5-2-6-10-21/h1-16,24H,17H2,(H,25,27)/b16-11+.
What are the key properties of (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 400.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42804068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).