3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C20H26N3O4S+ — CID 2331691

IUPAC3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCOCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-22(18-7-3-2-4-8-18)28(25,26)19-9-5-6-17(16-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1
InChIKeyYAQOVUUXDVGNON-UHFFFAOYSA-O
MW404.51 g/mol
LogP0.16
Rot. Bonds7

About 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 2331691) has the molecular formula C20H26N3O4S+ and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID2331691
Molecular FormulaC20H26N3O4S+
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCOCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-22(18-7-3-2-4-8-18)28(25,26)19-9-5-6-17(16-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1
InChIKeyYAQOVUUXDVGNON-UHFFFAOYSA-O
XLogP0.16
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
methyl 6-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31839813
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-hydroxyethyl)benzamide
CID 78783671
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 2331691) is 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCOCC2)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is YAQOVUUXDVGNON-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O4S/c1-22(18-7-3-2-4-8-18)28(25,26)19-9-5-6-17(16-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1.
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 2331691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).