N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide

C23H32N3O2S+ — CID 9370219

About N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9370219) has the molecular formula C23H32N3O2S+ and a molecular weight of 414.60 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
• PubChem CID: 9370219
• Molecular Formula: C23H32N3O2S+
• Molecular Weight: 414.60 g/mol
• Exact Mass: 414.22
• IUPAC Name: N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide
• SMILES: CCCc1cc(C(=O)N2CC[NH+](CC(=O)Nc3ccccc3CC)CC2)sc1C
• InChI: InChI=1S/C23H31N3O2S/c1-4-8-19-15-21(29-17(19)3)23(28)26-13-11-25(12-14-26)16-22(27)24-20-10-7-6-9-18(20)5-2/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3,(H,24,27)/p+1
• InChIKey: BROXFRPPYQSWQF-UHFFFAOYSA-O
• XLogP: 2.55
• TPSA: 53.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.60
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide (CID 9370219) is N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide is CCCc1cc(C(=O)N2CC[NH+](CC(=O)Nc3ccccc3CC)CC2)sc1C.

What is the InChIKey of N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?

The InChIKey is BROXFRPPYQSWQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N3O2S/c1-4-8-19-15-21(29-17(19)3)23(28)26-13-11-25(12-14-26)16-22(27)24-20-10-7-6-9-18(20)5-2/h6-7,9-10,15H,4-5,8,11-14,16H2,1-3H3,(H,24,27)/p+1.

What are the key properties of N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide?

N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 414.60 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9370219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).