3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide

C21H27N3O3S — CID 56526547

IUPAC3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCCCC2Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O3S/c22-28(26,27)20-11-6-9-18(16-20)23-21(25)12-14-24-13-5-4-10-19(24)15-17-7-2-1-3-8-17/h1-3,6-9,11,16,19H,4-5,10,12-15H2,(H,23,25)(H2,22,26,27)
InChIKeyJNIKGVPRCGKTNY-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.76
Rot. Bonds7

About 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide

3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide (PubChem CID 56526547) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
PubChem CID56526547
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1cccc(NC(=O)CCN2CCCCC2Cc2ccccc2)c1
InChIInChI=1S/C21H27N3O3S/c22-28(26,27)20-11-6-9-18(16-20)23-21(25)12-14-24-13-5-4-10-19(24)15-17-7-2-1-3-8-17/h1-3,6-9,11,16,19H,4-5,10,12-15H2,(H,23,25)(H2,22,26,27)
InChIKeyJNIKGVPRCGKTNY-UHFFFAOYSA-N
XLogP2.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 78830213
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 56526295
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-(3-chlorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propanamide
CID 116637464
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
N-(3-chlorophenyl)-3-[(2R)-2-ethylpiperidin-1-yl]propanamide
CID 684899
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide (CID 56526547) is 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide is NS(=O)(=O)c1cccc(NC(=O)CCN2CCCCC2Cc2ccccc2)c1.
What is the InChIKey of 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is JNIKGVPRCGKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c22-28(26,27)20-11-6-9-18(16-20)23-21(25)12-14-24-13-5-4-10-19(24)15-17-7-2-1-3-8-17/h1-3,6-9,11,16,19H,4-5,10,12-15H2,(H,23,25)(H2,22,26,27).
What are the key properties of 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide?
3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylpiperidin-1-yl)-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 56526547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).