(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide

C27H46N2O4S — CID 23627595

IUPAC(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2cc(OC)c(OC)c(OC)c2)N1
InChIInChI=1S/C27H46N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28-26(30)22-20-34-27(29-22)21-18-23(31-2)25(33-4)24(19-21)32-3/h18-19,22,27,29H,5-17,20H2,1-4H3,(H,28,30)/t22-,27?/m1/s1
InChIKeyUKRDMGONXUPVIC-XVPAFAEQSA-N
MW494.74 g/mol
LogP6.23
Rot. Bonds18

About (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 23627595) has the molecular formula C27H46N2O4S and a molecular weight of 494.74 g/mol. Its IUPAC name is (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID23627595
Molecular FormulaC27H46N2O4S
Molecular Weight494.74 g/mol
Exact Mass494.32
IUPAC Name(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2cc(OC)c(OC)c(OC)c2)N1
InChIInChI=1S/C27H46N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28-26(30)22-20-34-27(29-22)21-18-23(31-2)25(33-4)24(19-21)32-3/h18-19,22,27,29H,5-17,20H2,1-4H3,(H,28,30)/t22-,27?/m1/s1
InChIKeyUKRDMGONXUPVIC-XVPAFAEQSA-N
XLogP6.23
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.74
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 23627595) is (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide is CCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2cc(OC)c(OC)c(OC)c2)N1.
What is the InChIKey of (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UKRDMGONXUPVIC-XVPAFAEQSA-N. The full InChI is InChI=1S/C27H46N2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28-26(30)22-20-34-27(29-22)21-18-23(31-2)25(33-4)24(19-21)32-3/h18-19,22,27,29H,5-17,20H2,1-4H3,(H,28,30)/t22-,27?/m1/s1.
What are the key properties of (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 494.74 g/mol, XLogP of 6.23, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tetradecyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 23627595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).