4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C20H26N3O4S+ — CID 7392696

IUPAC4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16-2-6-18(7-3-16)22-28(25,26)19-8-4-17(5-9-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,22H,10-15H2,1H3,(H,21,24)/p+1
InChIKeyZNALBJQOQILNAP-UHFFFAOYSA-O
MW404.51 g/mol
LogP0.44
Rot. Bonds7

About 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide

4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7392696) has the molecular formula C20H26N3O4S+ and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID7392696
Molecular FormulaC20H26N3O4S+
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-16-2-6-18(7-3-16)22-28(25,26)19-8-4-17(5-9-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,22H,10-15H2,1H3,(H,21,24)/p+1
InChIKeyZNALBJQOQILNAP-UHFFFAOYSA-O
XLogP0.44
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531298
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7379251
4-[(4-methylphenyl)sulfamoyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364351
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 60573422
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 22108828
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 55735491
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
N-[2-[[2-(4-tert-butyl-2,6-dimethylphenyl)acetyl]amino]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2347604
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7392696) is 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is ZNALBJQOQILNAP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O4S/c1-16-2-6-18(7-3-16)22-28(25,26)19-8-4-17(5-9-19)20(24)21-10-11-23-12-14-27-15-13-23/h2-9,22H,10-15H2,1H3,(H,21,24)/p+1.
What are the key properties of 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7392696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).