(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

C26H25FN2O4S — CID 93097559

About (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide

(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 93097559) has the molecular formula C26H25FN2O4S and a molecular weight of 480.56 g/mol. Its IUPAC name is (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
• PubChem CID: 93097559
• Molecular Formula: C26H25FN2O4S
• Molecular Weight: 480.56 g/mol
• Exact Mass: 480.15
• IUPAC Name: (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
• SMILES: COc1cc(OC)cc(C(=O)N2[C@@H](C(=O)NCc3ccc(F)cc3)CS[C@H]2c2ccccc2)c1
• InChI: InChI=1S/C26H25FN2O4S/c1-32-21-12-19(13-22(14-21)33-2)25(31)29-23(16-34-26(29)18-6-4-3-5-7-18)24(30)28-15-17-8-10-20(27)11-9-17/h3-14,23,26H,15-16H2,1-2H3,(H,28,30)/t23-,26+/m1/s1
• InChIKey: SULUOXHXJSGCGZ-BVAGGSTKSA-N
• XLogP: 4.42
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.56
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?

The IUPAC name of (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 93097559) is (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2[C@@H](C(=O)NCc3ccc(F)cc3)CS[C@H]2c2ccccc2)c1.

What is the InChIKey of (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?

The InChIKey is SULUOXHXJSGCGZ-BVAGGSTKSA-N. The full InChI is InChI=1S/C26H25FN2O4S/c1-32-21-12-19(13-22(14-21)33-2)25(31)29-23(16-34-26(29)18-6-4-3-5-7-18)24(30)28-15-17-8-10-20(27)11-9-17/h3-14,23,26H,15-16H2,1-2H3,(H,28,30)/t23-,26+/m1/s1.

What are the key properties of (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide?

(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 480.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 93097559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).