(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

C22H21N3O3S — CID 18875044

IUPAC(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCC1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C22H21N3O3S/c1-3-19-21(27)25(16-9-11-17(28-2)12-10-16)22(29-19)18(13-23)20(26)24-14-15-7-5-4-6-8-15/h4-12,19H,3,14H2,1-2H3,(H,24,26)/b22-18-
InChIKeyZCJVLPDPXXSQMY-PYCFMQQDSA-N
MW407.50 g/mol
LogP3.61
Rot. Bonds6

About (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 18875044) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
PubChem CID18875044
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
SMILESCCC1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C22H21N3O3S/c1-3-19-21(27)25(16-9-11-17(28-2)12-10-16)22(29-19)18(13-23)20(26)24-14-15-7-5-4-6-8-15/h4-12,19H,3,14H2,1-2H3,(H,24,26)/b22-18-
InChIKeyZCJVLPDPXXSQMY-PYCFMQQDSA-N
XLogP3.61
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide 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

(2E)-N-benzyl-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 6914854
(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-methoxyphenyl)acetamide
CID 6288758
N-benzyl-2-[5-benzyl-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 5142449
(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 6011071
(2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 6914863
N-benzyl-2-cyano-2-[3-(4-methylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 5142451
(2Z)-N-benzyl-2-cyano-2-[3-(4-ethylphenyl)-5-[(3-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 18875001
(2Z)-N-benzyl-2-cyano-2-[5-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 6302500
N-benzyl-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 3812004
(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5R)-5-[(4-methoxyphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 40995178
2-cyano-N-(furan-2-ylmethyl)-2-[5-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 3770514
(2Z)-N-benzyl-2-cyano-2-[3-(3,4-dimethylphenyl)-5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 18875103

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The IUPAC name of (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CID 18875044) is (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
What is the SMILES notation for (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The canonical SMILES for (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is CCC1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The InChIKey is ZCJVLPDPXXSQMY-PYCFMQQDSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-3-19-21(27)25(16-9-11-17(28-2)12-10-16)22(29-19)18(13-23)20(26)24-14-15-7-5-4-6-8-15/h4-12,19H,3,14H2,1-2H3,(H,24,26)/b22-18-.
What are the key properties of (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
(2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 18875044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).