(2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide

C26H34N2O2S — CID 93125033

About (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide

(2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide (PubChem CID 93125033) has the molecular formula C26H34N2O2S and a molecular weight of 438.64 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide.

Molecular Properties

• Compound Name: (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
• PubChem CID: 93125033
• Molecular Formula: C26H34N2O2S
• Molecular Weight: 438.64 g/mol
• Exact Mass: 438.23
• IUPAC Name: (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide
• SMILES: CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1
• InChI: InChI=1S/C26H34N2O2S/c1-5-7-9-19(6-2)25(30)27-22-11-8-10-21(16-22)26-28(24(29)17-31-26)23-14-12-20(13-15-23)18(3)4/h8,10-16,18-19,26H,5-7,9,17H2,1-4H3,(H,27,30)/t19-,26-/m1/s1
• InChIKey: JXWBTCRJUYPZBM-NIYFSFCBSA-N
• XLogP: 6.74
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.64
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The IUPAC name of (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide (CID 93125033) is (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide.

What is the SMILES notation for (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The canonical SMILES for (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide is CCCC[C@@H](CC)C(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(C)C)cc2)c1.

What is the InChIKey of (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide?

The InChIKey is JXWBTCRJUYPZBM-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H34N2O2S/c1-5-7-9-19(6-2)25(30)27-22-11-8-10-21(16-22)26-28(24(29)17-31-26)23-14-12-20(13-15-23)18(3)4/h8,10-16,18-19,26H,5-7,9,17H2,1-4H3,(H,27,30)/t19-,26-/m1/s1.

What are the key properties of (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide?

(2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide has a molecular weight of 438.64 g/mol, XLogP of 6.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-ethyl-N-[3-[(2R)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]hexanamide is sourced from PubChem (CID 93125033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).