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

C21H27N3O3S — CID 43919042

IUPAC4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-28(26,27)24-13-11-23(12-14-24)16-18-7-9-19(10-8-18)21(25)22-20-6-4-5-17(2)15-20/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)
InChIKeyYYMXGOBNAHHJOS-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.71
Rot. Bonds6

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

4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide (PubChem CID 43919042) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
PubChem CID43919042
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide
SMILESCCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C21H27N3O3S/c1-3-28(26,27)24-13-11-23(12-14-24)16-18-7-9-19(10-8-18)21(25)22-20-6-4-5-17(2)15-20/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)
InChIKeyYYMXGOBNAHHJOS-UHFFFAOYSA-N
XLogP2.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
N-(4-chloro-2-methylphenyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43921580
4-[(3-hydroxyazetidin-1-yl)methyl]-N-(3-methylphenyl)benzamide
CID 146477166
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(4-iodo-2-methylphenyl)benzamide
CID 43923863
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 43921389
methyl 3-[[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzoyl]amino]benzoate
CID 38105840
N-(4-bromophenyl)-3-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919553
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-bromophenyl)benzamide
CID 43919510
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide (CID 43919042) is 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide is CCS(=O)(=O)N1CCN(Cc2ccc(C(=O)Nc3cccc(C)c3)cc2)CC1.
What is the InChIKey of 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
The InChIKey is YYMXGOBNAHHJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-28(26,27)24-13-11-23(12-14-24)16-18-7-9-19(10-8-18)21(25)22-20-6-4-5-17(2)15-20/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25).
What are the key properties of 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide?
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 43919042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).