4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide

C27H27N3O2S — CID 100500311

IUPAC4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H27N3O2S/c31-25-19-33-27(30(25)18-20-6-2-1-3-7-20)22-10-8-21(9-11-22)26(32)28-23-12-14-24(15-13-23)29-16-4-5-17-29/h1-3,6-15,27H,4-5,16-19H2,(H,28,32)/t27-/m1/s1
InChIKeyPGUQQCIGKQWRAJ-HHHXNRCGSA-N
MW457.60 g/mol
LogP5.31
Rot. Bonds6

About 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 100500311) has the molecular formula C27H27N3O2S and a molecular weight of 457.60 g/mol. Its IUPAC name is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID100500311
Molecular FormulaC27H27N3O2S
Molecular Weight457.60 g/mol
Exact Mass457.18
IUPAC Name4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C27H27N3O2S/c31-25-19-33-27(30(25)18-20-6-2-1-3-7-20)22-10-8-21(9-11-22)26(32)28-23-12-14-24(15-13-23)29-16-4-5-17-29/h1-3,6-15,27H,4-5,16-19H2,(H,28,32)/t27-/m1/s1
InChIKeyPGUQQCIGKQWRAJ-HHHXNRCGSA-N
XLogP5.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide 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

N-[4-(1-adamantyl)phenyl]-4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126034356
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 126191619
4-[(2R)-3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 30384728
N-(1,3-benzodioxol-5-yl)-4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 1142825
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 99946733
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-cyclopentylbenzamide
CID 40560076
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-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 133203275
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
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-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1142806

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 100500311) is 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is PGUQQCIGKQWRAJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H27N3O2S/c31-25-19-33-27(30(25)18-20-6-2-1-3-7-20)22-10-8-21(9-11-22)26(32)28-23-12-14-24(15-13-23)29-16-4-5-17-29/h1-3,6-15,27H,4-5,16-19H2,(H,28,32)/t27-/m1/s1.
What are the key properties of 4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 457.60 g/mol, XLogP of 5.31, 6 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-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 100500311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).