2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C20H22N4O3S — CID 140779018

IUPAC2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESN#Cc1ccc(C2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O3S/c21-13-15-1-3-16(4-2-15)17-9-11-24(12-10-17)14-20(25)23-18-5-7-19(8-6-18)28(22,26)27/h1-8,17H,9-12,14H2,(H,23,25)(H2,22,26,27)
InChIKeyXPAAGDVLCKSLAP-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 140779018) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID140779018
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESN#Cc1ccc(C2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C20H22N4O3S/c21-13-15-1-3-16(4-2-15)17-9-11-24(12-10-17)14-20(25)23-18-5-7-19(8-6-18)28(22,26)27/h1-8,17H,9-12,14H2,(H,23,25)(H2,22,26,27)
InChIKeyXPAAGDVLCKSLAP-UHFFFAOYSA-N
XLogP2.02
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 140779018) is 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is N#Cc1ccc(C2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is XPAAGDVLCKSLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c21-13-15-1-3-16(4-2-15)17-9-11-24(12-10-17)14-20(25)23-18-5-7-19(8-6-18)28(22,26)27/h1-8,17H,9-12,14H2,(H,23,25)(H2,22,26,27).
What are the key properties of 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)piperidin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 140779018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).