N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide

C21H25N3O4S — CID 57327095

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1
InChIInChI=1S/C21H25N3O4S/c1-16(25)23-10-12-24(13-11-23)20-9-4-3-8-19(20)22-21(26)18-7-5-6-17(14-18)15-29(2,27)28/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyFMIUIBWVIRSMNP-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 57327095) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID57327095
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1
InChIInChI=1S/C21H25N3O4S/c1-16(25)23-10-12-24(13-11-23)20-9-4-3-8-19(20)22-21(26)18-7-5-6-17(14-18)15-29(2,27)28/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyFMIUIBWVIRSMNP-UHFFFAOYSA-N
XLogP2.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)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

N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-cyanobenzamide
CID 57327098
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 3161440
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
[4-(2-fluorophenyl)piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 34229440
3-methyl-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 1313458
3-bromo-N-[2-(4-propanoylpiperazin-1-yl)phenyl]benzamide
CID 5042834
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-chloro-4-methoxybenzamide
CID 3161434

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide (CID 57327095) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cccc(CS(C)(=O)=O)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is FMIUIBWVIRSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)23-10-12-24(13-11-23)20-9-4-3-8-19(20)22-21(26)18-7-5-6-17(14-18)15-29(2,27)28/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 57327095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).