4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide

C16H25N3O4S — CID 120574271

IUPAC4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C16H25N3O4S/c1-12-15(4-3-9-17-12)19-16(20)13-5-7-14(8-6-13)24(21,22)18-10-11-23-2/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyUPEBHQUJQCACOE-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.48
Rot. Bonds7

About 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide

4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120574271) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120574271
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C16H25N3O4S/c1-12-15(4-3-9-17-12)19-16(20)13-5-7-14(8-6-13)24(21,22)18-10-11-23-2/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyUPEBHQUJQCACOE-UHFFFAOYSA-N
XLogP0.48
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.48
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-(2-methylcyclohexyl)benzamide
CID 17464043
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
4-(2-methoxyethylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119426387
4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
4-(2-methoxyethylsulfamoyl)-N-piperidin-4-ylbenzamide
CID 119387792
N-cyclohexyl-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297166
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
4-(difluoromethylsulfonyl)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574947
cis-(1R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678088
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577350

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide (CID 120574271) is 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is UPEBHQUJQCACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-15(4-3-9-17-12)19-16(20)13-5-7-14(8-6-13)24(21,22)18-10-11-23-2/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide?
4-(2-methoxyethylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.48, 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-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120574271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).