2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide

C19H23N3O3S — CID 6467232

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-15-17-7-3-1-4-8-17)16-21-11-13-22(14-12-21)26(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,23)
InChIKeyNSKYAYXQINWRJX-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide (PubChem CID 6467232) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
PubChem CID6467232
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C19H23N3O3S/c23-19(20-15-17-7-3-1-4-8-17)16-21-11-13-22(14-12-21)26(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,23)
InChIKeyNSKYAYXQINWRJX-UHFFFAOYSA-N
XLogP1.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide 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

N-benzyl-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758132
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8743522
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 27185871
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 38748405
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112799962
N-benzyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]acetamide
CID 24607550
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8554158
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide (CID 6467232) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide?
The InChIKey is NSKYAYXQINWRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(20-15-17-7-3-1-4-8-17)16-21-11-13-22(14-12-21)26(24,25)18-9-5-2-6-10-18/h1-10H,11-16H2,(H,20,23).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide has a molecular weight of 373.48 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 6467232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).