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

C22H26N2O3S — CID 4059372

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3S/c1-2-27-14-6-13-23-21(26)18-9-11-19(12-10-18)22-24(20(25)16-28-22)15-17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,23,26)
InChIKeyJIUSEBDGEGFCHS-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.62
Rot. Bonds9

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

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide (PubChem CID 4059372) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
PubChem CID4059372
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N2O3S/c1-2-27-14-6-13-23-21(26)18-9-11-19(12-10-18)22-24(20(25)16-28-22)15-17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,23,26)
InChIKeyJIUSEBDGEGFCHS-UHFFFAOYSA-N
XLogP3.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide (CID 4059372) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide?
The InChIKey is JIUSEBDGEGFCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-27-14-6-13-23-21(26)18-9-11-19(12-10-18)22-24(20(25)16-28-22)15-17-7-4-3-5-8-17/h3-5,7-12,22H,2,6,13-16H2,1H3,(H,23,26).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide has a molecular weight of 398.53 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 4059372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).