2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

C23H21N3O2S — CID 21368928

IUPAC2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-2-26-22(28)20(15-21(27)24-17-11-4-3-5-12-17)29-23(26)25-19-14-8-10-16-9-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3,(H,24,27)/b25-23-
InChIKeyHXTOUZMZWNHNSG-BZZOAKBMSA-N
MW403.51 g/mol
LogP4.82
Rot. Bonds5

About 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide

2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 21368928) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID21368928
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-2-26-22(28)20(15-21(27)24-17-11-4-3-5-12-17)29-23(26)25-19-14-8-10-16-9-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3,(H,24,27)/b25-23-
InChIKeyHXTOUZMZWNHNSG-BZZOAKBMSA-N
XLogP4.82
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 21368929
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-[2-(4-bromo-2-fluorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 21368779
2-[(5S)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41244800
2-[(5S)-2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7324032
2-[(2Z)-3-ethyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6253119
N-(4-methoxyphenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 5263516
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368763
2-[3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4059953
N-(3-ethoxyphenyl)-2-[3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3941970
ethyl 4-[[5-(2-anilino-2-oxoethyl)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 3409650

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 21368928) is 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1cccc2ccccc12.
What is the InChIKey of 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is HXTOUZMZWNHNSG-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-2-26-22(28)20(15-21(27)24-17-11-4-3-5-12-17)29-23(26)25-19-14-8-10-16-9-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3,(H,24,27)/b25-23-.
What are the key properties of 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide?
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 403.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 21368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).