N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide

C23H34N2O4S — CID 24549163

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C23H34N2O4S/c1-3-25(4-2)30(28,29)20-7-5-17(6-8-20)15-24-21(26)14-22-10-18-9-19(11-22)13-23(27,12-18)16-22/h5-8,18-19,27H,3-4,9-16H2,1-2H3,(H,24,26)
InChIKeyZZJJJGVGCZFSDT-UHFFFAOYSA-N
MW434.60 g/mol
LogP3.05
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 24549163) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID24549163
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C23H34N2O4S/c1-3-25(4-2)30(28,29)20-7-5-17(6-8-20)15-24-21(26)14-22-10-18-9-19(11-22)13-23(27,12-18)16-22/h5-8,18-19,27H,3-4,9-16H2,1-2H3,(H,24,26)
InChIKeyZZJJJGVGCZFSDT-UHFFFAOYSA-N
XLogP3.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
CID 26423380
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24620340
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
cis-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230601
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
(2S,3S)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51862144
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 24549163) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is ZZJJJGVGCZFSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-3-25(4-2)30(28,29)20-7-5-17(6-8-20)15-24-21(26)14-22-10-18-9-19(11-22)13-23(27,12-18)16-22/h5-8,18-19,27H,3-4,9-16H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 434.60 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 24549163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).