N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

C20H25N3O3S — CID 43919041

IUPACN-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-4-3-5-19(14-16)21-20(24)18-8-6-17(7-9-18)15-22-10-12-23(13-11-22)27(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyOWEOYJLHOCRCSU-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.32
Rot. Bonds5

About N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (PubChem CID 43919041) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
PubChem CID43919041
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCc1cccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c1
InChIInChI=1S/C20H25N3O3S/c1-16-4-3-5-19(14-16)21-20(24)18-8-6-17(7-9-18)15-22-10-12-23(13-11-22)27(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyOWEOYJLHOCRCSU-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 43919042
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
methyl 3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 38105840
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-bromophenyl)benzamide
CID 43919510
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (CID 43919041) is N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is Cc1cccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The InChIKey is OWEOYJLHOCRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-4-3-5-19(14-16)21-20(24)18-8-6-17(7-9-18)15-22-10-12-23(13-11-22)27(2,25)26/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 43919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).