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

C28H48N2O2S — CID 11155796

IUPAC(4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(O)cc2)N1
InChIInChI=1S/C28H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-27(32)26-23-33-28(30-26)24-18-20-25(31)21-19-24/h18-21,26,28,30-31H,2-17,22-23H2,1H3,(H,29,32)/t26-,28?/m0/s1
InChIKeyZTXICNUJECRHHH-QODXOHEASA-N
MW476.77 g/mol
LogP7.47
Rot. Bonds19

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

(4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide (PubChem CID 11155796) has the molecular formula C28H48N2O2S and a molecular weight of 476.77 g/mol. Its IUPAC name is (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
PubChem CID11155796
Molecular FormulaC28H48N2O2S
Molecular Weight476.77 g/mol
Exact Mass476.34
IUPAC Name(4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(O)cc2)N1
InChIInChI=1S/C28H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-27(32)26-23-33-28(30-26)24-18-20-25(31)21-19-24/h18-21,26,28,30-31H,2-17,22-23H2,1H3,(H,29,32)/t26-,28?/m0/s1
InChIKeyZTXICNUJECRHHH-QODXOHEASA-N
XLogP7.47
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.77
LogP ≤ 57.47
H-Bond Donors ≤ 53
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 (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide (CID 11155796) is (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(O)cc2)N1.
What is the InChIKey of (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZTXICNUJECRHHH-QODXOHEASA-N. The full InChI is InChI=1S/C28H48N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-27(32)26-23-33-28(30-26)24-18-20-25(31)21-19-24/h18-21,26,28,30-31H,2-17,22-23H2,1H3,(H,29,32)/t26-,28?/m0/s1.
What are the key properties of (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide?
(4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 476.77 g/mol, XLogP of 7.47, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-hydroxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 11155796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).