2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C22H29N3O3S — CID 9105795

IUPAC2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,24,26)(H2,23,27,28)
InChIKeyAHFRTVMDKUKBLO-UHFFFAOYSA-N
MW415.56 g/mol
LogP1.95
Rot. Bonds8

About 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 9105795) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID9105795
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c23-29(27,28)21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,24,26)(H2,23,27,28)
InChIKeyAHFRTVMDKUKBLO-UHFFFAOYSA-N
XLogP1.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 9105795) is 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is AHFRTVMDKUKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c23-29(27,28)21-8-6-18(7-9-21)10-13-24-22(26)17-25-14-11-20(12-15-25)16-19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,24,26)(H2,23,27,28).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 9105795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).