N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

C20H26N4O3S — CID 55628674

IUPACN-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-2-13-24-14-9-17(10-15-24)22-20(25)16-3-5-19(6-4-16)28(26,27)23-18-7-11-21-12-8-18/h3-8,11-12,17H,2,9-10,13-15H2,1H3,(H,21,23)(H,22,25)
InChIKeyXSGHVNKHMJUOET-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.49
Rot. Bonds7

About N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide

N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (PubChem CID 55628674) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
PubChem CID55628674
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1
InChIInChI=1S/C20H26N4O3S/c1-2-13-24-14-9-17(10-15-24)22-20(25)16-3-5-19(6-4-16)28(26,27)23-18-7-11-21-12-8-18/h3-8,11-12,17H,2,9-10,13-15H2,1H3,(H,21,23)(H,22,25)
InChIKeyXSGHVNKHMJUOET-UHFFFAOYSA-N
XLogP2.49
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The IUPAC name of N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide (CID 55628674) is N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
The InChIKey is XSGHVNKHMJUOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-13-24-14-9-17(10-15-24)22-20(25)16-3-5-19(6-4-16)28(26,27)23-18-7-11-21-12-8-18/h3-8,11-12,17H,2,9-10,13-15H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide?
N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-4-(pyridin-4-ylsulfamoyl)benzamide is sourced from PubChem (CID 55628674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).