N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide

C24H28N2O3S — CID 126178402

IUPACN-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C24H28N2O3S/c1-15(27)25-21-6-8-23(9-7-21)30(28,29)26-22-4-2-18(3-5-22)24-19-11-16-10-17(13-19)14-20(24)12-16/h2-9,16-17,19-20,24,26H,10-14H2,1H3,(H,25,27)
InChIKeyIAWZEWDCGGNNJK-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.99
Rot. Bonds5

About N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 126178402) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID126178402
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C24H28N2O3S/c1-15(27)25-21-6-8-23(9-7-21)30(28,29)26-22-4-2-18(3-5-22)24-19-11-16-10-17(13-19)14-20(24)12-16/h2-9,16-17,19-20,24,26H,10-14H2,1H3,(H,25,27)
InChIKeyIAWZEWDCGGNNJK-UHFFFAOYSA-N
XLogP4.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenylacetamide;2-phenyladamantane
CID 175533998
N-[4-(2-adamantyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 126172574
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylsulfamoyl]phenyl]acetamide
CID 7309353

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide (CID 126178402) is N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is IAWZEWDCGGNNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-15(27)25-21-6-8-23(9-7-21)30(28,29)26-22-4-2-18(3-5-22)24-19-11-16-10-17(13-19)14-20(24)12-16/h2-9,16-17,19-20,24,26H,10-14H2,1H3,(H,25,27).
What are the key properties of N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-adamantyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 126178402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).