3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide

C17H27N3O3S — CID 9264466

IUPAC3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H27N3O3S/c1-4-10-20-11-8-15(9-12-20)18-17(21)14-6-5-7-16(13-14)24(22,23)19(2)3/h5-7,13,15H,4,8-12H2,1-3H3,(H,18,21)
InChIKeyGKJCTZALECOVEU-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.54
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide

3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 9264466) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID9264466
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H27N3O3S/c1-4-10-20-11-8-15(9-12-20)18-17(21)14-6-5-7-16(13-14)24(22,23)19(2)3/h5-7,13,15H,4,8-12H2,1-3H3,(H,18,21)
InChIKeyGKJCTZALECOVEU-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[2-oxo-2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide
CID 9293100
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
3-[(4-butylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387130
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(1-propylpiperidin-4-yl)benzamide
CID 55386926
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
CID 97194696
3-acetyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 51204299
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide (CID 9264466) is 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is GKJCTZALECOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-10-20-11-8-15(9-12-20)18-17(21)14-6-5-7-16(13-14)24(22,23)19(2)3/h5-7,13,15H,4,8-12H2,1-3H3,(H,18,21).
What are the key properties of 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide?
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 9264466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).