2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C21H21N3O4S2 — CID 4283778

IUPAC2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H21N3O4S2/c1-3-13-22-21-24(30(27,28)17-11-9-15(2)10-12-17)20(26)18(29-21)14-19(25)23-16-7-5-4-6-8-16/h3-12,18H,1,13-14H2,2H3,(H,23,25)/b22-21-
InChIKeyRUHWNZWCJGOJSC-DQRAZIAOSA-N
MW443.55 g/mol
LogP3.20
Rot. Bonds7

About 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 4283778) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID4283778
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H21N3O4S2/c1-3-13-22-21-24(30(27,28)17-11-9-15(2)10-12-17)20(26)18(29-21)14-19(25)23-16-7-5-4-6-8-16/h3-12,18H,1,13-14H2,2H3,(H,23,25)/b22-21-
InChIKeyRUHWNZWCJGOJSC-DQRAZIAOSA-N
XLogP3.20
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-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

2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2104628
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
N-(4-chlorophenyl)-2-[(2E)-2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 6278008
2-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
N-(4-methylphenyl)-2-[(5S)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]acetamide
CID 135750479
N-(4-methylphenyl)-2-[(5S)-2-(4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 8715863
2-[(5S)-2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26916396
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
N-(4-hexoxyphenyl)-2-[(2E)-2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 6295212

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 4283778) is 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=CC/N=C1\SC(CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is RUHWNZWCJGOJSC-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-3-13-22-21-24(30(27,28)17-11-9-15(2)10-12-17)20(26)18(29-21)14-19(25)23-16-7-5-4-6-8-16/h3-12,18H,1,13-14H2,2H3,(H,23,25)/b22-21-.
What are the key properties of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 443.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 4283778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).