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

C21H24N2O2S — CID 3139045

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-15(2)22-20(25)17-9-11-18(12-10-17)21-23(19(24)14-26-21)13-16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyWHJSBLHNPPKVKH-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.99
Rot. Bonds6

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

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide (PubChem CID 3139045) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide
PubChem CID3139045
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-3-15(2)22-20(25)17-9-11-18(12-10-17)21-23(19(24)14-26-21)13-16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyWHJSBLHNPPKVKH-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide (CID 3139045) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide?
The InChIKey is WHJSBLHNPPKVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-15(2)22-20(25)17-9-11-18(12-10-17)21-23(19(24)14-26-21)13-16-7-5-4-6-8-16/h4-12,15,21H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-butan-2-ylbenzamide is sourced from PubChem (CID 3139045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).