2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C24H21N3O4S2 — CID 4127444

IUPAC2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(CC(=O)Nc3ccccc3)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-12-14-20(15-13-17)33(30,31)27-23(29)21(16-22(28)25-18-8-4-2-5-9-18)32-24(27)26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,28)/b26-24-
InChIKeyOCPCHSJZXLPHNS-LCUIJRPUSA-N
MW479.58 g/mol
LogP4.34
Rot. Bonds6

About 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 4127444) has the molecular formula C24H21N3O4S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID4127444
Molecular FormulaC24H21N3O4S2
Molecular Weight479.58 g/mol
Exact Mass479.10
IUPAC Name2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)C(CC(=O)Nc3ccccc3)S/C2=N\c2ccccc2)cc1
InChIInChI=1S/C24H21N3O4S2/c1-17-12-14-20(15-13-17)33(30,31)27-23(29)21(16-22(28)25-18-8-4-2-5-9-18)32-24(27)26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,28)/b26-24-
InChIKeyOCPCHSJZXLPHNS-LCUIJRPUSA-N
XLogP4.34
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 17385719
2-[(5S)-3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715693
2-[(5R)-3-(benzenesulfonyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2104628
2-[(5S)-4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 1243248
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 4984913
2-[(5R)-3-(3-ethoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715685
2-[(5S)-2-(benzenesulfonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 41168164
2-[2-(4-iodophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 17382439
2-[(5S)-2-(3-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 40719882

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 4127444) is 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is Cc1ccc(S(=O)(=O)N2C(=O)C(CC(=O)Nc3ccccc3)S/C2=N\c2ccccc2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is OCPCHSJZXLPHNS-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21N3O4S2/c1-17-12-14-20(15-13-17)33(30,31)27-23(29)21(16-22(28)25-18-8-4-2-5-9-18)32-24(27)26-19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,25,28)/b26-24-.
What are the key properties of 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 479.58 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)sulfonyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 4127444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).