N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide

C21H30N2O3S — CID 54787422

IUPACN-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H30N2O3S/c1-20(2,3)23-27(25,26)18-6-4-17(5-7-18)22-19(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16,23H,8-13H2,1-3H3,(H,22,24)
InChIKeyIBKMFPNGXMBQLB-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide

N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 54787422) has the molecular formula C21H30N2O3S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
PubChem CID54787422
Molecular FormulaC21H30N2O3S
Molecular Weight390.55 g/mol
Exact Mass390.20
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H30N2O3S/c1-20(2,3)23-27(25,26)18-6-4-17(5-7-18)22-19(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16,23H,8-13H2,1-3H3,(H,22,24)
InChIKeyIBKMFPNGXMBQLB-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 2933308
N-[4-(difluoromethylsulfonyl)phenyl]adamantane-1-carboxamide
CID 4880033
N-(4-acetylphenyl)adamantane-1-carboxamide
CID 2836424
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
(3S,6S)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 98161355
N-(4-morpholin-4-ylsulfonylphenyl)adamantane-1-carboxamide
CID 3585715
4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-[(2R)-3-methyl-1-[4-(methylsulfamoyl)anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 26313790
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide (CID 54787422) is N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is IBKMFPNGXMBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S/c1-20(2,3)23-27(25,26)18-6-4-17(5-7-18)22-19(24)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16,23H,8-13H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide?
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).