2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C24H21N3O4S2 — CID 41168164

IUPAC2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-12-14-18(15-13-17)25-22(28)16-21-23(29)27(19-8-4-2-5-9-19)24(32-21)26-33(30,31)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyIYYRUKSAVPSTDR-NRFANRHFSA-N
MW479.58 g/mol
LogP4.22
Rot. Bonds6

About 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 41168164) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID41168164
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-12-14-18(15-13-17)25-22(28)16-21-23(29)27(19-8-4-2-5-9-19)24(32-21)26-33(30,31)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyIYYRUKSAVPSTDR-NRFANRHFSA-N
XLogP4.22
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.22
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-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-chlorophenyl)acetamide
CID 4260826
2-[2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 3593657
2-[(5R)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157005
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157237
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647
N-(4-methoxyphenyl)-2-[(5R)-4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl]acetamide
CID 51445664
N-(4-methoxyphenyl)-2-(4-oxo-3-phenyl-2-thiophen-2-ylsulfonylimino-1,3-thiazolidin-5-yl)acetamide
CID 4317700
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935
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-chlorophenyl)-2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 41168164) is 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccccc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is IYYRUKSAVPSTDR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-17-12-14-18(15-13-17)25-22(28)16-21-23(29)27(19-8-4-2-5-9-19)24(32-21)26-33(30,31)20-10-6-3-7-11-20/h2-15,21H,16H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 4.22, 6 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-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 41168164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).