2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C23H24BrN3O4S2 — CID 98163008

IUPAC2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1SC(=NS(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H24BrN3O4S2/c24-16-11-13-19(14-12-16)33(30,31)26-23-27(18-9-5-2-6-10-18)22(29)20(32-23)15-21(28)25-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15H2,(H,25,28)/t20-/m0/s1
InChIKeyGEWAAHVNLKLHLU-FQEVSTJZSA-N
MW550.50 g/mol
LogP4.80
Rot. Bonds6

About 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 98163008) has the molecular formula C23H24BrN3O4S2 and a molecular weight of 550.50 g/mol. Its IUPAC name is 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID98163008
Molecular FormulaC23H24BrN3O4S2
Molecular Weight550.50 g/mol
Exact Mass549.04
IUPAC Name2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1SC(=NS(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O)Nc1ccccc1
InChIInChI=1S/C23H24BrN3O4S2/c24-16-11-13-19(14-12-16)33(30,31)26-23-27(18-9-5-2-6-10-18)22(29)20(32-23)15-21(28)25-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15H2,(H,25,28)/t20-/m0/s1
InChIKeyGEWAAHVNLKLHLU-FQEVSTJZSA-N
XLogP4.80
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3921463
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-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 51670297
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 51663556
2-[(5S)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51665664
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51858939
2-[3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 3248625
2-[(2E)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 6179879
N-(4-bromophenyl)-2-(3-cycloheptyl-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 4622176
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6528950
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
2-[(5R)-2-(4-bromophenyl)sulfonylimino-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 98157005

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 98163008) is 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(C[C@@H]1SC(=NS(=O)(=O)c2ccc(Br)cc2)N(C2CCCCC2)C1=O)Nc1ccccc1.
What is the InChIKey of 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is GEWAAHVNLKLHLU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24BrN3O4S2/c24-16-11-13-19(14-12-16)33(30,31)26-23-27(18-9-5-2-6-10-18)22(29)20(32-23)15-21(28)25-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,18,20H,2,5-6,9-10,15H2,(H,25,28)/t20-/m0/s1.
What are the key properties of 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 550.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 98163008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).