N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C21H23N5OS — CID 17148936

About N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 17148936) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• PubChem CID: 17148936
• Molecular Formula: C21H23N5OS
• Molecular Weight: 393.52 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2nsnc2c1
• InChI: InChI=1S/C21H23N5OS/c27-21(22-18-8-9-19-20(15-18)24-28-23-19)16-26-13-11-25(12-14-26)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,27)/b7-4+
• InChIKey: GGNHNKGGCVXJJC-QPJJXVBHSA-N
• XLogP: 2.96
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.52
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 17148936) is N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc2nsnc2c1.

What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

The InChIKey is GGNHNKGGCVXJJC-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-21(22-18-8-9-19-20(15-18)24-28-23-19)16-26-13-11-25(12-14-26)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2,(H,22,27)/b7-4+.

What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?

N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 393.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17148936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).