(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide

C28H48N2OS — CID 11156218

IUPAC(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1
InChIInChI=1S/C28H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31)/t26-,28?/m0/s1
InChIKeyHUVABQXVXBSPIS-QODXOHEASA-N
MW460.77 g/mol
LogP7.77
Rot. Bonds19

About (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide

(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 11156218) has the molecular formula C28H48N2OS and a molecular weight of 460.77 g/mol. Its IUPAC name is (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID11156218
Molecular FormulaC28H48N2OS
Molecular Weight460.77 g/mol
Exact Mass460.35
IUPAC Name(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1
InChIInChI=1S/C28H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31)/t26-,28?/m0/s1
InChIKeyHUVABQXVXBSPIS-QODXOHEASA-N
XLogP7.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.77
LogP ≤ 57.77
H-Bond Donors ≤ 52
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 (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 11156218) is (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1.
What is the InChIKey of (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is HUVABQXVXBSPIS-QODXOHEASA-N. The full InChI is InChI=1S/C28H48N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(31)26-24-32-28(30-26)25-21-18-17-19-22-25/h17-19,21-22,26,28,30H,2-16,20,23-24H2,1H3,(H,29,31)/t26-,28?/m0/s1.
What are the key properties of (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 460.77 g/mol, XLogP of 7.77, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-octadecyl-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 11156218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).