4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide

C23H25N3O3S — CID 43919630

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3S/c1-30(28,29)26-14-12-25(13-15-26)17-18-6-8-20(9-7-18)23(27)24-22-11-10-19-4-2-3-5-21(19)16-22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyZOWXSLMXERYLKF-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.17
Rot. Bonds5

About 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide (PubChem CID 43919630) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
PubChem CID43919630
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
SMILESCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3S/c1-30(28,29)26-14-12-25(13-15-26)17-18-6-8-20(9-7-18)23(27)24-22-11-10-19-4-2-3-5-21(19)16-22/h2-11,16H,12-15,17H2,1H3,(H,24,27)
InChIKeyZOWXSLMXERYLKF-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide 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-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-naphthalen-2-ylbenzamide
CID 43919632
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
butyl 4-[[4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoyl]amino]benzoate
CID 38101943

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide (CID 43919630) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide is CS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide?
The InChIKey is ZOWXSLMXERYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-30(28,29)26-14-12-25(13-15-26)17-18-6-8-20(9-7-18)23(27)24-22-11-10-19-4-2-3-5-21(19)16-22/h2-11,16H,12-15,17H2,1H3,(H,24,27).
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide has a molecular weight of 423.54 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 43919630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).