2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C19H18FN3O4S2 — CID 6528950

IUPAC2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4S2/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)28-19(23)22-29(26,27)15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-
InChIKeyJDUXAOOJCKRNMI-QOCHGBHMSA-N
MW435.50 g/mol
LogP2.86
Rot. Bonds6

About 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 6528950) has the molecular formula C19H18FN3O4S2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID6528950
Molecular FormulaC19H18FN3O4S2
Molecular Weight435.50 g/mol
Exact Mass435.07
IUPAC Name2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4S2/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)28-19(23)22-29(26,27)15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-
InChIKeyJDUXAOOJCKRNMI-QOCHGBHMSA-N
XLogP2.86
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 52.86
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-[(5R)-2-(4-bromophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51567041
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
2-[(5S)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 2141678
2-[(2E)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 6268666
2-[(5S)-2-(benzenesulfonylimino)-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 42223517
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567016
N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 2141666
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
N-(4-chlorophenyl)-2-[(5R)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567015
2-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 4590729
2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 6528950) is 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is JDUXAOOJCKRNMI-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3O4S2/c1-2-23-18(25)16(12-17(24)21-14-6-4-3-5-7-14)28-19(23)22-29(26,27)15-10-8-13(20)9-11-15/h3-11,16H,2,12H2,1H3,(H,21,24)/b22-19-.
What are the key properties of 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 435.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 6528950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).