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

C21H21N3O4S2 — CID 41168171

IUPAC2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S2/c1-3-13-24-20(26)18(14-19(25)22-17-12-8-7-9-15(17)2)29-21(24)23-30(27,28)16-10-5-4-6-11-16/h3-12,18H,1,13-14H2,2H3,(H,22,25)/t18-/m1/s1
InChIKeyQOGIVONODYDXGI-GOSISDBHSA-N
MW443.55 g/mol
LogP3.20
Rot. Bonds7

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

2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 41168171) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID41168171
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESC=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O4S2/c1-3-13-24-20(26)18(14-19(25)22-17-12-8-7-9-15(17)2)29-21(24)23-30(27,28)16-10-5-4-6-11-16/h3-12,18H,1,13-14H2,2H3,(H,22,25)/t18-/m1/s1
InChIKeyQOGIVONODYDXGI-GOSISDBHSA-N
XLogP3.20
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
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 ≤ 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-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 27269034
N-(2-methylphenyl)-2-[(5S)-4-oxo-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445654
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-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 1236136
2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377
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
N-(4-chlorophenyl)-2-[(2E)-2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 6278008
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567016
2-[(5S)-2-(2-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715992
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

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 41168171) is 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)SC1=NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is QOGIVONODYDXGI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-3-13-24-20(26)18(14-19(25)22-17-12-8-7-9-15(17)2)29-21(24)23-30(27,28)16-10-5-4-6-11-16/h3-12,18H,1,13-14H2,2H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 443.55 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 41168171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).