N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

C25H22F3N3O2S — CID 93127885

About N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 93127885) has the molecular formula C25H22F3N3O2S and a molecular weight of 485.53 g/mol. Its IUPAC name is N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 93127885
• Molecular Formula: C25H22F3N3O2S
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.14
• IUPAC Name: N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• SMILES: CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1
• InChI: InChI=1S/C25H22F3N3O2S/c1-30(2)20-10-12-21(13-11-20)31-22(32)15-34-24(31)17-4-3-5-19(14-17)29-23(33)16-6-8-18(9-7-16)25(26,27)28/h3-14,24H,15H2,1-2H3,(H,29,33)/t24-/m1/s1
• InChIKey: WQLHAJDGONTMIZ-XMMPIXPASA-N
• XLogP: 5.80
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 93127885) is N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)cc1.

What is the InChIKey of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The InChIKey is WQLHAJDGONTMIZ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H22F3N3O2S/c1-30(2)20-10-12-21(13-11-20)31-22(32)15-34-24(31)17-4-3-5-19(14-17)29-23(33)16-6-8-18(9-7-16)25(26,27)28/h3-14,24H,15H2,1-2H3,(H,29,33)/t24-/m1/s1.

What are the key properties of N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 485.53 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93127885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).