2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C21H26N4O3S — CID 4833078

IUPAC2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O3S/c22-29(27,28)20-10-8-19(9-11-20)23-21(26)17-25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,23,26)(H2,22,27,28)
InChIKeyVYEHYRAQGFXBFB-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.60
Rot. Bonds7

About 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 4833078) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID4833078
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O3S/c22-29(27,28)20-10-8-19(9-11-20)23-21(26)17-25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,23,26)(H2,22,27,28)
InChIKeyVYEHYRAQGFXBFB-UHFFFAOYSA-N
XLogP1.60
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495
N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
N-(2,1,3-benzothiadiazol-5-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 17148936
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 4833078) is 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(CC=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VYEHYRAQGFXBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c22-29(27,28)20-10-8-19(9-11-20)23-21(26)17-25-15-13-24(14-16-25)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2,(H,23,26)(H2,22,27,28).
What are the key properties of 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 414.53 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4833078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).