3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide

C15H24N3O4S+ — CID 7601092

IUPAC3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CC[NH+](C)CC2)c1
InChIInChI=1S/C15H23N3O4S/c1-17-7-9-18(10-8-17)23(20,21)11-6-16-15(19)13-4-3-5-14(12-13)22-2/h3-5,12H,6-11H2,1-2H3,(H,16,19)/p+1
InChIKeyISAVIUGLCUAIHG-UHFFFAOYSA-O
MW342.44 g/mol
LogP-1.41
Rot. Bonds6

About 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide

3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide (PubChem CID 7601092) has the molecular formula C15H24N3O4S+ and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
PubChem CID7601092
Molecular FormulaC15H24N3O4S+
Molecular Weight342.44 g/mol
Exact Mass342.15
IUPAC Name3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N2CC[NH+](C)CC2)c1
InChIInChI=1S/C15H23N3O4S/c1-17-7-9-18(10-8-17)23(20,21)11-6-16-15(19)13-4-3-5-14(12-13)22-2/h3-5,12H,6-11H2,1-2H3,(H,16,19)/p+1
InChIKeyISAVIUGLCUAIHG-UHFFFAOYSA-O
XLogP-1.41
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601079
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonylethyl]-3-methoxybenzamide
CID 7601104
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
CID 7617970
N-[2-(cycloheptylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618048

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide (CID 7601092) is 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide is COc1cccc(C(=O)NCCS(=O)(=O)N2CC[NH+](C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide?
The InChIKey is ISAVIUGLCUAIHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O4S/c1-17-7-9-18(10-8-17)23(20,21)11-6-16-15(19)13-4-3-5-14(12-13)22-2/h3-5,12H,6-11H2,1-2H3,(H,16,19)/p+1.
What are the key properties of 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide?
3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide has a molecular weight of 342.44 g/mol, XLogP of -1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide is sourced from PubChem (CID 7601092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).