N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

C18H29N3O4S — CID 72867578

IUPACN-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCCCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-4-5-12-19-18(22)15-6-8-16(9-7-15)25-17-10-13-21(14-11-17)26(23,24)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyAYCOBHPFCZIQMS-UHFFFAOYSA-N
MW383.51 g/mol
LogP1.87
Rot. Bonds8

About N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide

N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (PubChem CID 72867578) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
PubChem CID72867578
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
SMILESCCCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O4S/c1-4-5-12-19-18(22)15-6-8-16(9-7-15)25-17-10-13-21(14-11-17)26(23,24)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)
InChIKeyAYCOBHPFCZIQMS-UHFFFAOYSA-N
XLogP1.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72854361
N-cyclobutyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72916418
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 25296805
4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 45188260
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide (CID 72867578) is N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is CCCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1.
What is the InChIKey of N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is AYCOBHPFCZIQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-5-12-19-18(22)15-6-8-16(9-7-15)25-17-10-13-21(14-11-17)26(23,24)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22).
What are the key properties of N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide?
N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide has a molecular weight of 383.51 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72867578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).