4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide

C27H28N2O2S2 — CID 126034362

IUPAC4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccccc1CSCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2O2S2/c1-20-7-5-6-10-24(20)18-32-16-15-28-26(31)22-11-13-23(14-12-22)27-29(25(30)19-33-27)17-21-8-3-2-4-9-21/h2-14,27H,15-19H2,1H3,(H,28,31)/t27-/m1/s1
InChIKeyGJBYLSYUKFEEEO-HHHXNRCGSA-N
MW476.67 g/mol
LogP5.43
Rot. Bonds9

About 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 126034362) has the molecular formula C27H28N2O2S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID126034362
Molecular FormulaC27H28N2O2S2
Molecular Weight476.67 g/mol
Exact Mass476.16
IUPAC Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccccc1CSCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H28N2O2S2/c1-20-7-5-6-10-24(20)18-32-16-15-28-26(31)22-11-13-23(14-12-22)27-29(25(30)19-33-27)17-21-8-3-2-4-9-21/h2-14,27H,15-19H2,1H3,(H,28,31)/t27-/m1/s1
InChIKeyGJBYLSYUKFEEEO-HHHXNRCGSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126034363
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 5008223
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 1280635
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 133203275
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 133244543
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 126034362) is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1ccccc1CSCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is GJBYLSYUKFEEEO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N2O2S2/c1-20-7-5-6-10-24(20)18-32-16-15-28-26(31)22-11-13-23(14-12-22)27-29(25(30)19-33-27)17-21-8-3-2-4-9-21/h2-14,27H,15-19H2,1H3,(H,28,31)/t27-/m1/s1.
What are the key properties of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 476.67 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 126034362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).