N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

C33H34N2O6S — CID 42749372

About N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide

N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42749372) has the molecular formula C33H34N2O6S and a molecular weight of 586.71 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
• PubChem CID: 42749372
• Molecular Formula: C33H34N2O6S
• Molecular Weight: 586.71 g/mol
• Exact Mass: 586.21
• IUPAC Name: N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
• SMILES: COc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccoc2)cc(OC)c1OC
• InChI: InChI=1S/C33H34N2O6S/c1-38-28-18-25(19-29(39-2)30(28)40-3)32(37)35-27(21-42-33(35)24-15-17-41-20-24)31(36)34-16-14-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,15,17-20,26-27,33H,14,16,21H2,1-3H3,(H,34,36)
• InChIKey: GYOIZBDFFOEJDZ-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 90.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.71
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?

The IUPAC name of N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide (CID 42749372) is N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is COc1cc(C(=O)N2C(C(=O)NCCC(c3ccccc3)c3ccccc3)CSC2c2ccoc2)cc(OC)c1OC.

What is the InChIKey of N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?

The InChIKey is GYOIZBDFFOEJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O6S/c1-38-28-18-25(19-29(39-2)30(28)40-3)32(37)35-27(21-42-33(35)24-15-17-41-20-24)31(36)34-16-14-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,15,17-20,26-27,33H,14,16,21H2,1-3H3,(H,34,36).

What are the key properties of N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide?

N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 586.71 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-diphenylpropyl)-2-(furan-3-yl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42749372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).