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

C20H19N3O4S2 — CID 2104628

IUPAC2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CC/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S2/c1-2-13-21-20-23(29(26,27)16-11-7-4-8-12-16)19(25)17(28-20)14-18(24)22-15-9-5-3-6-10-15/h2-12,17H,1,13-14H2,(H,22,24)/b21-20-/t17-/m1/s1
InChIKeyZROHULJGPCPVHR-QBEKEKFNSA-N
MW429.52 g/mol
LogP2.89
Rot. Bonds7

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

2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 2104628) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID2104628
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Name2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CC/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S2/c1-2-13-21-20-23(29(26,27)16-11-7-4-8-12-16)19(25)17(28-20)14-18(24)22-15-9-5-3-6-10-15/h2-12,17H,1,13-14H2,(H,22,24)/b21-20-/t17-/m1/s1
InChIKeyZROHULJGPCPVHR-QBEKEKFNSA-N
XLogP2.89
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.89
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'}

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Related Compounds

2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4283778
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4127444
2-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 1236136
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
2-[(5S)-2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26916396
N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 4622176
2-[(5R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2443129
2-[(5R)-2-(2,4-dichlorophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1299590
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[[(5S)-5-(2-anilino-2-oxoethyl)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 7025639
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 2104628) is 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=CC/N=C1\S[C@H](CC(=O)Nc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is ZROHULJGPCPVHR-QBEKEKFNSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-2-13-21-20-23(29(26,27)16-11-7-4-8-12-16)19(25)17(28-20)14-18(24)22-15-9-5-3-6-10-15/h2-12,17H,1,13-14H2,(H,22,24)/b21-20-/t17-/m1/s1.
What are the key properties of 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 2104628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).