3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide

C21H25N3O4S — CID 33215032

IUPAC3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c22-29(27,28)19-8-6-18(7-9-19)23-20(25)12-15-24-13-10-17(11-14-24)21(26)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)(H2,22,27,28)
InChIKeyOUCZWHDGRMWZTR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.26
Rot. Bonds7

About 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide

3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 33215032) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID33215032
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O4S/c22-29(27,28)19-8-6-18(7-9-19)23-20(25)12-15-24-13-10-17(11-14-24)21(26)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)(H2,22,27,28)
InChIKeyOUCZWHDGRMWZTR-UHFFFAOYSA-N
XLogP2.26
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide (CID 33215032) is 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCN2CCC(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is OUCZWHDGRMWZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c22-29(27,28)19-8-6-18(7-9-19)23-20(25)12-15-24-13-10-17(11-14-24)21(26)16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,23,25)(H2,22,27,28).
What are the key properties of 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 415.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 33215032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).