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

C31H29N3O2S — CID 93127787

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

N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 93127787) has the molecular formula C31H29N3O2S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
• PubChem CID: 93127787
• Molecular Formula: C31H29N3O2S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.20
• IUPAC Name: N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide
• SMILES: CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C31H29N3O2S/c1-33(2)26-17-19-27(20-18-26)34-28(35)21-37-31(34)24-13-15-25(16-14-24)32-30(36)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,29,31H,21H2,1-2H3,(H,32,36)/t31-/m1/s1
• InChIKey: BQBKKRQJGFNCRP-WJOKGBTCSA-N
• XLogP: 6.30
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	6.30
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-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide?

The IUPAC name of N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide (CID 93127787) is N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide is CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1.

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

The InChIKey is BQBKKRQJGFNCRP-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H29N3O2S/c1-33(2)26-17-19-27(20-18-26)34-28(35)21-37-31(34)24-13-15-25(16-14-24)32-30(36)29(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-20,29,31H,21H2,1-2H3,(H,32,36)/t31-/m1/s1.

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

N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 507.66 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2R)-3-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 93127787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).