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

C21H27N3O3S — CID 8743401

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-18-8-10-19(11-9-18)16-22(2)21(25)17-23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3
InChIKeyRSCIAMPGFVYIBB-UHFFFAOYSA-N
MW401.53 g/mol
LogP1.96
Rot. Bonds6

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

2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 8743401) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID8743401
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O3S/c1-18-8-10-19(11-9-18)16-22(2)21(25)17-23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3
InChIKeyRSCIAMPGFVYIBB-UHFFFAOYSA-N
XLogP1.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125640
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 8749292
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 43039440
ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 4847165
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide
CID 8692613
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
N,N-dibenzyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918944
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 8743401) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RSCIAMPGFVYIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-18-8-10-19(11-9-18)16-22(2)21(25)17-23-12-14-24(15-13-23)28(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8743401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).