(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

C27H46N2O2S — CID 46231698

IUPAC(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)cc2)N1
InChIInChI=1S/C27H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-26(30)25-22-32-27(29-25)23-17-19-24(31-2)20-18-23/h17-20,25,27,29H,3-16,21-22H2,1-2H3,(H,28,30)/t25-,27?/m0/s1
InChIKeyYYAQNEUIBTYANW-PVCWFJFTSA-N
MW462.74 g/mol
LogP7.00
Rot. Bonds18

About (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 46231698) has the molecular formula C27H46N2O2S and a molecular weight of 462.74 g/mol. Its IUPAC name is (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID46231698
Molecular FormulaC27H46N2O2S
Molecular Weight462.74 g/mol
Exact Mass462.33
IUPAC Name(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)cc2)N1
InChIInChI=1S/C27H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-26(30)25-22-32-27(29-25)23-17-19-24(31-2)20-18-23/h17-20,25,27,29H,3-16,21-22H2,1-2H3,(H,28,30)/t25-,27?/m0/s1
InChIKeyYYAQNEUIBTYANW-PVCWFJFTSA-N
XLogP7.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.74
LogP ≤ 57.00
H-Bond Donors ≤ 52
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)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 46231698) is (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccc(OC)cc2)N1.
What is the InChIKey of (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YYAQNEUIBTYANW-PVCWFJFTSA-N. The full InChI is InChI=1S/C27H46N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-26(30)25-22-32-27(29-25)23-17-19-24(31-2)20-18-23/h17-20,25,27,29H,3-16,21-22H2,1-2H3,(H,28,30)/t25-,27?/m0/s1.
What are the key properties of (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 462.74 g/mol, XLogP of 7.00, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hexadecyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46231698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).