4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide

C15H23N3O4S — CID 119387792

IUPAC4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-22-11-10-17-23(20,21)14-4-2-12(3-5-14)15(19)18-13-6-8-16-9-7-13/h2-5,13,16-17H,6-11H2,1H3,(H,18,19)
InChIKeyFAAZIZGSVKNOMH-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.09
Rot. Bonds7

About 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide

4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide (PubChem CID 119387792) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
PubChem CID119387792
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-22-11-10-17-23(20,21)14-4-2-12(3-5-14)15(19)18-13-6-8-16-9-7-13/h2-5,13,16-17H,6-11H2,1H3,(H,18,19)
InChIKeyFAAZIZGSVKNOMH-UHFFFAOYSA-N
XLogP0.09
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574271
4-(2-methoxyethylsulfonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451105
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
4-(2-methoxyethylsulfamoyl)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446751
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119296317
N-[2-(cycloheptylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 119620168
N-(azepan-4-yl)-4-methylsulfonylbenzamide
CID 105059657
4-(diethylsulfamoyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388262

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide (CID 119387792) is 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide?
The InChIKey is FAAZIZGSVKNOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-11-10-17-23(20,21)14-4-2-12(3-5-14)15(19)18-13-6-8-16-9-7-13/h2-5,13,16-17H,6-11H2,1H3,(H,18,19).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide?
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119387792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).