4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide

C16H26N3O5S+ — CID 7618207

IUPAC4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25N3O5S/c1-23-15-4-2-14(3-5-15)16(20)17-7-13-25(21,22)18-6-8-19-9-11-24-12-10-19/h2-5,18H,6-13H2,1H3,(H,17,20)/p+1
InChIKeyVISRQQXXYDUATO-UHFFFAOYSA-O
MW372.47 g/mol
LogP-1.74
Rot. Bonds9

About 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide

4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide (PubChem CID 7618207) has the molecular formula C16H26N3O5S+ and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
PubChem CID7618207
Molecular FormulaC16H26N3O5S+
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCS(=O)(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C16H25N3O5S/c1-23-15-4-2-14(3-5-15)16(20)17-7-13-25(21,22)18-6-8-19-9-11-24-12-10-19/h2-5,18H,6-13H2,1H3,(H,17,20)/p+1
InChIKeyVISRQQXXYDUATO-UHFFFAOYSA-O
XLogP-1.74
TPSA98.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7155155
N-[2-[2-(diethylamino)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618195
N-[2-[3-(dimethylamino)propylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618197
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
4-(2-methylpropoxy)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7379816
N-[2-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618251
4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7392696
N-[2-[2-(4-methoxyphenyl)ethylsulfamoyl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7423415
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 44961219
(E)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)prop-2-enamide
CID 6998532
3,4-dimethoxy-N-[2-(3-morpholin-4-ylpropylsulfamoyl)ethyl]benzamide
CID 7618847
N-[2-[[(2R,5R)-2,5-dimethoxy-2H-furan-5-yl]methylsulfamoyl]ethyl]-4-methoxybenzamide
CID 7618261

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide (CID 7618207) is 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide is COc1ccc(C(=O)NCCS(=O)(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide?
The InChIKey is VISRQQXXYDUATO-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O5S/c1-23-15-4-2-14(3-5-15)16(20)17-7-13-25(21,22)18-6-8-19-9-11-24-12-10-19/h2-5,18H,6-13H2,1H3,(H,17,20)/p+1.
What are the key properties of 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide?
4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of -1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-morpholin-4-ium-4-ylethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 7618207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).