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

C24H40N2OS — CID 11316635

IUPAC(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1
InChIInChI=1S/C24H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27)/t22-,24?/m0/s1
InChIKeyVHTVISLJQSODQM-OWJIYDKWSA-N
MW404.66 g/mol
LogP6.21
Rot. Bonds15

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

(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide (PubChem CID 11316635) has the molecular formula C24H40N2OS and a molecular weight of 404.66 g/mol. Its IUPAC name is (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
PubChem CID11316635
Molecular FormulaC24H40N2OS
Molecular Weight404.66 g/mol
Exact Mass404.29
IUPAC Name(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1
InChIInChI=1S/C24H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27)/t22-,24?/m0/s1
InChIKeyVHTVISLJQSODQM-OWJIYDKWSA-N
XLogP6.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.66
LogP ≤ 56.21
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)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide (CID 11316635) is (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@@H]1CSC(c2ccccc2)N1.
What is the InChIKey of (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is VHTVISLJQSODQM-OWJIYDKWSA-N. The full InChI is InChI=1S/C24H40N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25-23(27)22-20-28-24(26-22)21-17-14-13-15-18-21/h13-15,17-18,22,24,26H,2-12,16,19-20H2,1H3,(H,25,27)/t22-,24?/m0/s1.
What are the key properties of (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide?
(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 404.66 g/mol, XLogP of 6.21, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 11316635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).