2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide

C16H25N3O4S — CID 55527296

IUPAC2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-13-4-5-14(24(21,22)17-2)12-15(13)16(20)18-6-3-7-19-8-10-23-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyQWBGWYIBHABKGO-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.36
Rot. Bonds7

About 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide

2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 55527296) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID55527296
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H25N3O4S/c1-13-4-5-14(24(21,22)17-2)12-15(13)16(20)18-6-3-7-19-8-10-23-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20)
InChIKeyQWBGWYIBHABKGO-UHFFFAOYSA-N
XLogP0.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
2-chloro-5-(dimethylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884146
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-methyl-5-methylsulfonyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55931172
2-methyl-5-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 9050303
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
5-(benzylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylbenzamide
CID 55660200
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 24687436
2-methyl-N-(2-morpholin-4-ylethyl)-5-propan-2-ylbenzamide
CID 110764588
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 55527296) is 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide is CNS(=O)(=O)c1ccc(C)c(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is QWBGWYIBHABKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-4-5-14(24(21,22)17-2)12-15(13)16(20)18-6-3-7-19-8-10-23-11-9-19/h4-5,12,17H,3,6-11H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide?
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 55527296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).