4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

C22H29N3O3S — CID 16881195

IUPAC4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-19-7-9-21(10-8-19)22(26)23-12-18-29(27,28)25-16-14-24(15-17-25)13-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyZFVUUDKNPXIGOG-UHFFFAOYSA-N
MW415.56 g/mol
LogP1.91
Rot. Bonds8

About 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide

4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 16881195) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID16881195
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESCc1ccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-19-7-9-21(10-8-19)22(26)23-12-18-29(27,28)25-16-14-24(15-17-25)13-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyZFVUUDKNPXIGOG-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide 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

3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-4-phenylbenzamide
CID 110345279
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
CID 16881168
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-diethoxybenzamide
CID 16881049
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-2-phenylacetamide
CID 110345252
N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7423224
N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]-3-phenylpropanamide
CID 110345257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 16881195) is 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is ZFVUUDKNPXIGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-19-7-9-21(10-8-19)22(26)23-12-18-29(27,28)25-16-14-24(15-17-25)13-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide?
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 415.56 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 16881195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).