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

C20H25N3O3S — CID 6469048

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)27(25,26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)
InChIKeyZLZDHLRLAYLGIK-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.35
Rot. Bonds7

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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 6469048) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID6469048
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H25N3O3S/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)27(25,26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24)
InChIKeyZLZDHLRLAYLGIK-UHFFFAOYSA-N
XLogP1.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 6469048) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)NCCc1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZLZDHLRLAYLGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)27(25,26)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,21,24).
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 1.35, 7 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 6469048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).