N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

C29H48N2O2S — CID 10097031

IUPACN-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C29H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(32)24-31-28(33)25-34-29(31)26-21-18-17-19-22-26/h17-19,21-22,29H,2-16,20,23-25H2,1H3,(H,30,32)
InChIKeyRGMOAFLMEWZURR-UHFFFAOYSA-N
MW488.78 g/mol
LogP7.64
Rot. Bonds20

About N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (PubChem CID 10097031) has the molecular formula C29H48N2O2S and a molecular weight of 488.78 g/mol. Its IUPAC name is N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
PubChem CID10097031
Molecular FormulaC29H48N2O2S
Molecular Weight488.78 g/mol
Exact Mass488.34
IUPAC NameN-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C29H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(32)24-31-28(33)25-34-29(31)26-21-18-17-19-22-26/h17-19,21-22,29H,2-16,20,23-25H2,1H3,(H,30,32)
InChIKeyRGMOAFLMEWZURR-UHFFFAOYSA-N
XLogP7.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.78
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (CID 10097031) is N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is CCCCCCCCCCCCCCCCCCNC(=O)CN1C(=O)CSC1c1ccccc1.
What is the InChIKey of N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is RGMOAFLMEWZURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30-27(32)24-31-28(33)25-34-29(31)26-21-18-17-19-22-26/h17-19,21-22,29H,2-16,20,23-25H2,1H3,(H,30,32).
What are the key properties of N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 488.78 g/mol, XLogP of 7.64, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 10097031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).