4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

C34H33N3O3S — CID 99946733

IUPAC4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C34H33N3O3S/c1-34(2,3)27-18-16-25(17-19-27)32(40)36-29-11-7-10-28(20-29)35-31(39)24-12-14-26(15-13-24)33-37(30(38)22-41-33)21-23-8-5-4-6-9-23/h4-20,33H,21-22H2,1-3H3,(H,35,39)(H,36,40)/t33-/m0/s1
InChIKeyUHLJWYMGPJAWRI-XIFFEERXSA-N
MW563.72 g/mol
LogP7.26
Rot. Bonds7

About 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide

4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (PubChem CID 99946733) has the molecular formula C34H33N3O3S and a molecular weight of 563.72 g/mol. Its IUPAC name is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
PubChem CID99946733
Molecular FormulaC34H33N3O3S
Molecular Weight563.72 g/mol
Exact Mass563.22
IUPAC Name4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C34H33N3O3S/c1-34(2,3)27-18-16-25(17-19-27)32(40)36-29-11-7-10-28(20-29)35-31(39)24-12-14-26(15-13-24)33-37(30(38)22-41-33)21-23-8-5-4-6-9-23/h4-20,33H,21-22H2,1-3H3,(H,35,39)(H,36,40)/t33-/m0/s1
InChIKeyUHLJWYMGPJAWRI-XIFFEERXSA-N
XLogP7.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.72
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1142825
ethyl 5-[[4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzoyl]amino]-2-chlorobenzoate
CID 43908576
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methylphenyl)benzamide
CID 1245454
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100500311
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126191619
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
N-[4-(1-adamantyl)phenyl]-4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126034356
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 133202720
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-methylpropyl)benzamide
CID 3139076
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(2-ethoxyphenyl)benzamide
CID 3138297
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 1142986

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide (CID 99946733) is 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([C@@H]4SCC(=O)N4Cc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
The InChIKey is UHLJWYMGPJAWRI-XIFFEERXSA-N. The full InChI is InChI=1S/C34H33N3O3S/c1-34(2,3)27-18-16-25(17-19-27)32(40)36-29-11-7-10-28(20-29)35-31(39)24-12-14-26(15-13-24)33-37(30(38)22-41-33)21-23-8-5-4-6-9-23/h4-20,33H,21-22H2,1-3H3,(H,35,39)(H,36,40)/t33-/m0/s1.
What are the key properties of 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide?
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide has a molecular weight of 563.72 g/mol, XLogP of 7.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 99946733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).