N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C26H30N2O5S — CID 55777976

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 55777976) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
• PubChem CID: 55777976
• Molecular Formula: C26H30N2O5S
• Molecular Weight: 482.60 g/mol
• Exact Mass: 482.19
• IUPAC Name: N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
• SMILES: COc1ccccc1NC(=O)COc1ccc(C(=O)NC(c2cccs2)C(C)(C)C)cc1OC
• InChI: InChI=1S/C26H30N2O5S/c1-26(2,3)24(22-11-8-14-34-22)28-25(30)17-12-13-20(21(15-17)32-5)33-16-23(29)27-18-9-6-7-10-19(18)31-4/h6-15,24H,16H2,1-5H3,(H,27,29)(H,28,30)
• InChIKey: HOCAJOFGLKLZTH-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 55777976) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)NC(c2cccs2)C(C)(C)C)cc1OC.

What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

The InChIKey is HOCAJOFGLKLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-26(2,3)24(22-11-8-14-34-22)28-25(30)17-12-13-20(21(15-17)32-5)33-16-23(29)27-18-9-6-7-10-19(18)31-4/h6-15,24H,16H2,1-5H3,(H,27,29)(H,28,30).

What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 482.60 g/mol, XLogP of 5.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55777976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).