2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C24H26FN3O4S2 — CID 51663556

IUPAC2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26FN3O4S2/c1-16-7-11-18(12-8-16)26-22(29)15-21-23(30)28(19-5-3-2-4-6-19)24(33-21)27-34(31,32)20-13-9-17(25)10-14-20/h7-14,19,21H,2-6,15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyXMNYYSDDTFEFIF-NRFANRHFSA-N
MW503.62 g/mol
LogP4.48
Rot. Bonds6

About 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 51663556) has the molecular formula C24H26FN3O4S2 and a molecular weight of 503.62 g/mol. Its IUPAC name is 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID51663556
Molecular FormulaC24H26FN3O4S2
Molecular Weight503.62 g/mol
Exact Mass503.13
IUPAC Name2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26FN3O4S2/c1-16-7-11-18(12-8-16)26-22(29)15-21-23(30)28(19-5-3-2-4-6-19)24(33-21)27-34(31,32)20-13-9-17(25)10-14-20/h7-14,19,21H,2-6,15H2,1H3,(H,26,29)/t21-/m0/s1
InChIKeyXMNYYSDDTFEFIF-NRFANRHFSA-N
XLogP4.48
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 54.48
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-[(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-methoxyphenyl)acetamide
CID 51858939
2-[(5S)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51665664
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
2-[(5S)-2-(4-bromophenyl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 98163008
2-[(5R)-2-(4-bromophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51567041
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6528950
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)-3-cyclopropyl-2-(3,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715778
2-[2-(5-chlorothiophen-2-yl)sulfonylimino-3-cyclohexyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3921463

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 51663556) is 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@@H]2SC(=NS(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is XMNYYSDDTFEFIF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26FN3O4S2/c1-16-7-11-18(12-8-16)26-22(29)15-21-23(30)28(19-5-3-2-4-6-19)24(33-21)27-34(31,32)20-13-9-17(25)10-14-20/h7-14,19,21H,2-6,15H2,1H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 503.62 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 51663556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).