3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

C17H27N3O5S — CID 72935386

IUPAC3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H27N3O5S/c1-19(2)26(22,23)20-10-7-15(8-11-20)25-16-6-4-5-14(13-16)17(21)18-9-12-24-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21)
InChIKeyBGRNZNBKJPQEDX-UHFFFAOYSA-N
MW385.49 g/mol
LogP0.71
Rot. Bonds8

About 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 72935386) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID72935386
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Name3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1
InChIInChI=1S/C17H27N3O5S/c1-19(2)26(22,23)20-10-7-15(8-11-20)25-16-6-4-5-14(13-16)17(21)18-9-12-24-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21)
InChIKeyBGRNZNBKJPQEDX-UHFFFAOYSA-N
XLogP0.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72867578
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
CID 23723255
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 26330254
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600
N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72839965
4-[3-[(1S,5R)-6-azabicyclo[3.2.1]octane-6-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 133138526
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (CID 72935386) is 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1.
What is the InChIKey of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is BGRNZNBKJPQEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-19(2)26(22,23)20-10-7-15(8-11-20)25-16-6-4-5-14(13-16)17(21)18-9-12-24-3/h4-6,13,15H,7-12H2,1-3H3,(H,18,21).
What are the key properties of 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 385.49 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 72935386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).