4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C23H28N2O5S — CID 55968511

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55968511) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• PubChem CID: 55968511
• Molecular Formula: C23H28N2O5S
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.17
• IUPAC Name: 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
• SMILES: COc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
• InChI: InChI=1S/C23H28N2O5S/c1-29-22-8-3-2-6-19(22)16-24(17-21-7-4-14-30-21)23(26)18-9-11-20(12-10-18)25-13-5-15-31(25,27)28/h2-3,6,8-12,21H,4-5,7,13-17H2,1H3
• InChIKey: FCDZFNMYOBTZGC-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 76.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 55968511) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.

What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

The InChIKey is FCDZFNMYOBTZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-29-22-8-3-2-6-19(22)16-24(17-21-7-4-14-30-21)23(26)18-9-11-20(12-10-18)25-13-5-15-31(25,27)28/h2-3,6,8-12,21H,4-5,7,13-17H2,1H3.

What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide?

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 444.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55968511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).