2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

C20H20ClN3O4S2 — CID 4590729

IUPAC2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O4S2/c1-3-24-19(26)17(12-18(25)22-16-7-5-4-6-13(16)2)29-20(24)23-30(27,28)15-10-8-14(21)9-11-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)
InChIKeyDBPKRXOGFKFFJU-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide

2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 4590729) has the molecular formula C20H20ClN3O4S2 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID4590729
Molecular FormulaC20H20ClN3O4S2
Molecular Weight465.98 g/mol
Exact Mass465.06
IUPAC Name2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O4S2/c1-3-24-19(26)17(12-18(25)22-16-7-5-4-6-13(16)2)29-20(24)23-30(27,28)15-10-8-14(21)9-11-15/h4-11,17H,3,12H2,1-2H3,(H,22,25)
InChIKeyDBPKRXOGFKFFJU-UHFFFAOYSA-N
XLogP3.69
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 27269034
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 41168171
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6528950
2-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
N-(4-chlorophenyl)-2-[(2E)-2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 6278008
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 1236136
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
N-(2-methylphenyl)-2-[(5S)-4-oxo-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445654
2-[(5R)-2-(4-bromophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51567041
N-(2-chlorophenyl)-2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3147896

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 4590729) is 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is DBPKRXOGFKFFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S2/c1-3-24-19(26)17(12-18(25)22-16-7-5-4-6-13(16)2)29-20(24)23-30(27,28)15-10-8-14(21)9-11-15/h4-11,17H,3,12H2,1-2H3,(H,22,25).
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 465.98 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 4590729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).