3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

C22H24N4O7S — CID 4220668

About 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 4220668) has the molecular formula C22H24N4O7S and a molecular weight of 488.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
• PubChem CID: 4220668
• Molecular Formula: C22H24N4O7S
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.14
• IUPAC Name: 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
• SMILES: COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1
• InChI: InChI=1S/C22H24N4O7S/c1-29-15-8-6-5-7-14(15)24-18(27)12-34-22-26-25-19(33-22)11-23-21(28)13-9-16(30-2)20(32-4)17(10-13)31-3/h5-10H,11-12H2,1-4H3,(H,23,28)(H,24,27)
• InChIKey: MVPNZHCDRJZMMO-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 134.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 4220668) is 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1.

What is the InChIKey of 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?

The InChIKey is MVPNZHCDRJZMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O7S/c1-29-15-8-6-5-7-14(15)24-18(27)12-34-22-26-25-19(33-22)11-23-21(28)13-9-16(30-2)20(32-4)17(10-13)31-3/h5-10H,11-12H2,1-4H3,(H,23,28)(H,24,27).

What are the key properties of 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?

3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 488.52 g/mol, XLogP of 2.76, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4220668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).