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

C15H23N3O3S — CID 43918377

IUPACN-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-3-16-15(19)14-6-4-13(5-7-14)12-17-8-10-18(11-9-17)22(2,20)21/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyGWZOVQJQJAUIGM-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.51
Rot. Bonds5

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

N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (PubChem CID 43918377) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
PubChem CID43918377
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H23N3O3S/c1-3-16-15(19)14-6-4-13(5-7-14)12-17-8-10-18(11-9-17)22(2,20)21/h4-7H,3,8-12H2,1-2H3,(H,16,19)
InChIKeyGWZOVQJQJAUIGM-UHFFFAOYSA-N
XLogP0.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-propylbenzamide
CID 43924194
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
N-[3-(dimethylamino)propyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38106007
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
N-[2-(4-chlorophenyl)sulfanylethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920725
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-prop-2-enylbenzamide
CID 43918535
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
N-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]benzamide
CID 46043618
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (CID 43918377) is N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is CCNC(=O)c1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The InChIKey is GWZOVQJQJAUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-16-15(19)14-6-4-13(5-7-14)12-17-8-10-18(11-9-17)22(2,20)21/h4-7H,3,8-12H2,1-2H3,(H,16,19).
What are the key properties of N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide has a molecular weight of 325.43 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 43918377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).