3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C23H23N3O5S — CID 55878043

About 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55878043) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 55878043
• Molecular Formula: C23H23N3O5S
• Molecular Weight: 453.52 g/mol
• Exact Mass: 453.14
• IUPAC Name: 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCCS2(=O)=O)cc1
• InChI: InChI=1S/C23H23N3O5S/c27-22(18-7-9-20(10-8-18)26-11-3-13-32(26,29)30)24-15-17-4-1-5-19(14-17)23(28)25-16-21-6-2-12-31-21/h1-2,4-10,12,14H,3,11,13,15-16H2,(H,24,27)(H,25,28)
• InChIKey: LWYWDVFOORTUJO-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 108.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55878043) is 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1cccc(C(=O)NCc2ccco2)c1)c1ccc(N2CCCS2(=O)=O)cc1.

What is the InChIKey of 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?

The InChIKey is LWYWDVFOORTUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c27-22(18-7-9-20(10-8-18)26-11-3-13-32(26,29)30)24-15-17-4-1-5-19(14-17)23(28)25-16-21-6-2-12-31-21/h1-2,4-10,12,14H,3,11,13,15-16H2,(H,24,27)(H,25,28).

What are the key properties of 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?

3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 453.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).