4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C21H28N4O3S — CID 122187639

IUPAC4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
InChIKeyCFRRLGJCKWVVRS-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.99
Rot. Bonds3

About 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187639) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187639
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1
InChIInChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28)
InChIKeyCFRRLGJCKWVVRS-UHFFFAOYSA-N
XLogP2.99
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187639) is 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is CFRRLGJCKWVVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-21(2,3)16-4-8-18(9-5-16)24-12-14-25(15-13-24)20(26)23-17-6-10-19(11-7-17)29(22,27)28/h4-11H,12-15H2,1-3H3,(H,23,26)(H2,22,27,28).
What are the key properties of 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).