1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide

C21H26N4O4S — CID 4843067

IUPAC1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-16(7-9-19)10-13-23-20(26)17-11-14-25(15-12-17)21(27)24-18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyWBXHDUAPULOLAW-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.94
Rot. Bonds6

About 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 4843067) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID4843067
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-16(7-9-19)10-13-23-20(26)17-11-14-25(15-12-17)21(27)24-18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)(H,24,27)(H2,22,28,29)
InChIKeyWBXHDUAPULOLAW-UHFFFAOYSA-N
XLogP1.94
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide (CID 4843067) is 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is WBXHDUAPULOLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c22-30(28,29)19-8-6-16(7-9-19)10-13-23-20(26)17-11-14-25(15-12-17)21(27)24-18-4-2-1-3-5-18/h1-9,17H,10-15H2,(H,23,26)(H,24,27)(H2,22,28,29).
What are the key properties of 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 430.53 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 4843067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).