3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C16H25N3O6S2 — CID 39999775

IUPAC3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O6S2/c1-25-11-8-17-27(23,24)15-5-3-4-13(12-15)16(20)18-14-6-9-19(10-7-14)26(2,21)22/h3-5,12,14,17H,6-11H2,1-2H3,(H,18,20)
InChIKeyHMUIZGACMNJOGH-UHFFFAOYSA-N
MW419.53 g/mol
LogP-0.23
Rot. Bonds8

About 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 39999775) has the molecular formula C16H25N3O6S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID39999775
Molecular FormulaC16H25N3O6S2
Molecular Weight419.53 g/mol
Exact Mass419.12
IUPAC Name3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C16H25N3O6S2/c1-25-11-8-17-27(23,24)15-5-3-4-13(12-15)16(20)18-14-6-9-19(10-7-14)26(2,21)22/h3-5,12,14,17H,6-11H2,1-2H3,(H,18,20)
InChIKeyHMUIZGACMNJOGH-UHFFFAOYSA-N
XLogP-0.23
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
N-cyclopropyl-3-(pentylsulfamoyl)benzamide
CID 109062314
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 39999775) is 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is COCCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is HMUIZGACMNJOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O6S2/c1-25-11-8-17-27(23,24)15-5-3-4-13(12-15)16(20)18-14-6-9-19(10-7-14)26(2,21)22/h3-5,12,14,17H,6-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 419.53 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 39999775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).