4-(1-adamantylsulfamoyl)-N-phenylbenzamide

C23H26N2O3S — CID 2965835

IUPAC4-(1-adamantylsulfamoyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26N2O3S/c26-22(24-20-4-2-1-3-5-20)19-6-8-21(9-7-19)29(27,28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18,25H,10-15H2,(H,24,26)
InChIKeyDUPRSLAIUWYXTO-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.19
Rot. Bonds5

About 4-(1-adamantylsulfamoyl)-N-phenylbenzamide

4-(1-adamantylsulfamoyl)-N-phenylbenzamide (PubChem CID 2965835) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 4-(1-adamantylsulfamoyl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(1-adamantylsulfamoyl)-N-phenylbenzamide
PubChem CID2965835
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name4-(1-adamantylsulfamoyl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H26N2O3S/c26-22(24-20-4-2-1-3-5-20)19-6-8-21(9-7-19)29(27,28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18,25H,10-15H2,(H,24,26)
InChIKeyDUPRSLAIUWYXTO-UHFFFAOYSA-N
XLogP4.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-adamantylsulfamoyl)-N-phenylbenzamide 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-(1-adamantylsulfamoyl)-N-phenylbenzamide?
The IUPAC name of 4-(1-adamantylsulfamoyl)-N-phenylbenzamide (CID 2965835) is 4-(1-adamantylsulfamoyl)-N-phenylbenzamide.
What is the SMILES notation for 4-(1-adamantylsulfamoyl)-N-phenylbenzamide?
The canonical SMILES for 4-(1-adamantylsulfamoyl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 4-(1-adamantylsulfamoyl)-N-phenylbenzamide?
The InChIKey is DUPRSLAIUWYXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c26-22(24-20-4-2-1-3-5-20)19-6-8-21(9-7-19)29(27,28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-9,16-18,25H,10-15H2,(H,24,26).
What are the key properties of 4-(1-adamantylsulfamoyl)-N-phenylbenzamide?
4-(1-adamantylsulfamoyl)-N-phenylbenzamide has a molecular weight of 410.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylsulfamoyl)-N-phenylbenzamide is sourced from PubChem (CID 2965835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).