N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

C32H33F4N3O5S — CID 10416775

About N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 10416775) has the molecular formula C32H33F4N3O5S and a molecular weight of 647.69 g/mol. Its IUPAC name is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
• PubChem CID: 10416775
• Molecular Formula: C32H33F4N3O5S
• Molecular Weight: 647.69 g/mol
• Exact Mass: 647.21
• IUPAC Name: N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
• SMILES: Cc1c(O)cccc1C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1F
• InChI: InChI=1S/C32H33F4N3O5S/c1-18-21(12-8-14-24(18)40)28(42)38-23(15-19-9-5-4-6-10-19)26(41)30(44)39-17-45-31(2,3)27(39)29(43)37-16-20-11-7-13-22(25(20)33)32(34,35)36/h4-14,23,26-27,40-41H,15-17H2,1-3H3,(H,37,43)(H,38,42)
• InChIKey: MGZQNNJNRKLVAN-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 118.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.69
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (CID 10416775) is N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is Cc1c(O)cccc1C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1cccc(C(F)(F)F)c1F.

What is the InChIKey of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

The InChIKey is MGZQNNJNRKLVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F4N3O5S/c1-18-21(12-8-14-24(18)40)28(42)38-23(15-19-9-5-4-6-10-19)26(41)30(44)39-17-45-31(2,3)27(39)29(43)37-16-20-11-7-13-22(25(20)33)32(34,35)36/h4-14,23,26-27,40-41H,15-17H2,1-3H3,(H,37,43)(H,38,42).

What are the key properties of N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 647.69 g/mol, XLogP of 4.56, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-[2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 10416775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).