N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide

C24H22N2O2S — CID 2883426

IUPACN-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2S/c27-22-17-29-24(26(22)16-19-9-5-2-6-10-19)21-13-11-20(12-14-21)23(28)25-15-18-7-3-1-4-8-18/h1-14,24H,15-17H2,(H,25,28)
InChIKeyWZKQMGQZLODSNQ-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.39
Rot. Bonds6

About N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide

N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide (PubChem CID 2883426) has the molecular formula C24H22N2O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide
PubChem CID2883426
Molecular FormulaC24H22N2O2S
Molecular Weight402.52 g/mol
Exact Mass402.14
IUPAC NameN-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C24H22N2O2S/c27-22-17-29-24(26(22)16-19-9-5-2-6-10-19)21-13-11-20(12-14-21)23(28)25-15-18-7-3-1-4-8-18/h1-14,24H,15-17H2,(H,25,28)
InChIKeyWZKQMGQZLODSNQ-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide?
The IUPAC name of N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide (CID 2883426) is N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide is O=C(NCc1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide?
The InChIKey is WZKQMGQZLODSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2S/c27-22-17-29-24(26(22)16-19-9-5-2-6-10-19)21-13-11-20(12-14-21)23(28)25-15-18-7-3-1-4-8-18/h1-14,24H,15-17H2,(H,25,28).
What are the key properties of N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide?
N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 2883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).