2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

C15H23N3O4S — CID 47790621

IUPAC2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O4S/c1-22-14-6-4-3-5-13(14)15(19)16-7-8-17-9-11-18(12-10-17)23(2,20)21/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyASPXKVNQBOJKTJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.00
Rot. Bonds6

About 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide

2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (PubChem CID 47790621) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
PubChem CID47790621
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23N3O4S/c1-22-14-6-4-3-5-13(14)15(19)16-7-8-17-9-11-18(12-10-17)23(2,20)21/h3-6H,7-12H2,1-2H3,(H,16,19)
InChIKeyASPXKVNQBOJKTJ-UHFFFAOYSA-N
XLogP0.00
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide;hydrochloride
CID 18571730
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
2,3,4-trifluoro-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 110397603
phenyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397608
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide (CID 47790621) is 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is ASPXKVNQBOJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-14-6-4-3-5-13(14)15(19)16-7-8-17-9-11-18(12-10-17)23(2,20)21/h3-6H,7-12H2,1-2H3,(H,16,19).
What are the key properties of 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide?
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 341.43 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 47790621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).