3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide

C26H30N2O3S — CID 11408335

About 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide

3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide (PubChem CID 11408335) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide
• PubChem CID: 11408335
• Molecular Formula: C26H30N2O3S
• Molecular Weight: 450.60 g/mol
• Exact Mass: 450.20
• IUPAC Name: 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide
• SMILES: CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)CCC1CCCC1
• InChI: InChI=1S/C26H30N2O3S/c1-28(24(29)14-11-18-5-2-3-6-18)17-20-7-4-8-22(15-20)21-12-9-19(10-13-21)16-23-25(30)27-26(31)32-23/h4,7-10,12-13,15,18,23H,2-3,5-6,11,14,16-17H2,1H3,(H,27,30,31)
• InChIKey: SNMJJYKFDGZVBO-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.60
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide?

The IUPAC name of 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide (CID 11408335) is 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide.

What is the SMILES notation for 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide?

The canonical SMILES for 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide is CN(Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)C(=O)CCC1CCCC1.

What is the InChIKey of 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide?

The InChIKey is SNMJJYKFDGZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-28(24(29)14-11-18-5-2-3-6-18)17-20-7-4-8-22(15-20)21-12-9-19(10-13-21)16-23-25(30)27-26(31)32-23/h4,7-10,12-13,15,18,23H,2-3,5-6,11,14,16-17H2,1H3,(H,27,30,31).

What are the key properties of 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide?

3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide has a molecular weight of 450.60 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 11408335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).