N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide

C19H24ClN3O2S+2 — CID 9262263

About N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9262263) has the molecular formula C19H24ClN3O2S+2 and a molecular weight of 393.94 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• PubChem CID: 9262263
• Molecular Formula: C19H24ClN3O2S+2
• Molecular Weight: 393.94 g/mol
• Exact Mass: 393.13
• IUPAC Name: N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
• SMILES: CC(=O)c1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2ccc(Cl)s2)CC1
• InChI: InChI=1S/C19H22ClN3O2S/c1-14(24)16-4-2-3-5-17(16)21-19(25)13-23-10-8-22(9-11-23)12-15-6-7-18(20)26-15/h2-7H,8-13H2,1H3,(H,21,25)/p+2
• InChIKey: CVPGBSXRPRWVAZ-UHFFFAOYSA-P
• XLogP: 0.53
• TPSA: 55.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.94
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The IUPAC name of N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 9262263) is N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide.

What is the SMILES notation for N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The canonical SMILES for N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is CC(=O)c1ccccc1NC(=O)C[NH+]1CC[NH+](Cc2ccc(Cl)s2)CC1.

What is the InChIKey of N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

The InChIKey is CVPGBSXRPRWVAZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H22ClN3O2S/c1-14(24)16-4-2-3-5-17(16)21-19(25)13-23-10-8-22(9-11-23)12-15-6-7-18(20)26-15/h2-7H,8-13H2,1H3,(H,21,25)/p+2.

What are the key properties of N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide?

N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 393.94 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetylphenyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9262263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).