N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide

C20H33N3O3S — CID 55811483

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C20H33N3O3S/c1-4-22-27(25,26)19-9-7-18(8-10-19)20(24)21-11-5-6-12-23-14-16(2)13-17(3)15-23/h7-10,16-17,22H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyMVNZCYCFEZXIPH-UHFFFAOYSA-N
MW395.57 g/mol
LogP2.47
Rot. Bonds9

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide (PubChem CID 55811483) has the molecular formula C20H33N3O3S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
PubChem CID55811483
Molecular FormulaC20H33N3O3S
Molecular Weight395.57 g/mol
Exact Mass395.22
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C20H33N3O3S/c1-4-22-27(25,26)19-9-7-18(8-10-19)20(24)21-11-5-6-12-23-14-16(2)13-17(3)15-23/h7-10,16-17,22H,4-6,11-15H2,1-3H3,(H,21,24)
InChIKeyMVNZCYCFEZXIPH-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55782424
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]benzamide
CID 55811580
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
4-(cyclopropylsulfamoyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide
CID 55723380
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 166180565
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 55847890
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-methyl-3-nitrobenzamide
CID 51525429

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide (CID 55811483) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is MVNZCYCFEZXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3S/c1-4-22-27(25,26)19-9-7-18(8-10-19)20(24)21-11-5-6-12-23-14-16(2)13-17(3)15-23/h7-10,16-17,22H,4-6,11-15H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 395.57 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 55811483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).