2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

C20H18ClN3O4S2 — CID 1236136

IUPAC2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O4S2/c1-2-12-24-19(26)17(13-18(25)22-15-10-8-14(21)9-11-15)29-20(24)23-30(27,28)16-6-4-3-5-7-16/h2-11,17H,1,12-13H2,(H,22,25)/t17-/m0/s1
InChIKeyBIVFPLDPSWNIAH-KRWDZBQOSA-N
MW463.97 g/mol
LogP3.54
Rot. Bonds7

About 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide

2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 1236136) has the molecular formula C20H18ClN3O4S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
PubChem CID1236136
Molecular FormulaC20H18ClN3O4S2
Molecular Weight463.97 g/mol
Exact Mass463.04
IUPAC Name2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
SMILESC=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18ClN3O4S2/c1-2-12-24-19(26)17(13-18(25)22-15-10-8-14(21)9-11-15)29-20(24)23-30(27,28)16-6-4-3-5-7-16/h2-11,17H,1,12-13H2,(H,22,25)/t17-/m0/s1
InChIKeyBIVFPLDPSWNIAH-KRWDZBQOSA-N
XLogP3.54
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 5234683
2-[(2E)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 6176765
2-[(5S)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 98156976
N-(4-chlorophenyl)-2-[(5R)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567015
N-(4-chlorophenyl)-2-[(2E)-2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 6278008
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567016
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 27269034
2-[(5S)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 40836130
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-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide (CID 1236136) is 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)SC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is BIVFPLDPSWNIAH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18ClN3O4S2/c1-2-12-24-19(26)17(13-18(25)22-15-10-8-14(21)9-11-15)29-20(24)23-30(27,28)16-6-4-3-5-7-16/h2-11,17H,1,12-13H2,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide?
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 463.97 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 1236136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).