2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide

C25H37N3O4S — CID 26423380

IUPAC2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H37N3O4S/c1-3-28(4-2)33(31,32)22-7-5-18(6-8-22)16-26-24(30)17-27-23(29)15-25-12-19-9-20(13-25)11-21(10-19)14-25/h5-8,19-21H,3-4,9-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOQAJVMCZHZNESK-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.06
Rot. Bonds10

About 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide (PubChem CID 26423380) has the molecular formula C25H37N3O4S and a molecular weight of 475.66 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
PubChem CID26423380
Molecular FormulaC25H37N3O4S
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC Name2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H37N3O4S/c1-3-28(4-2)33(31,32)22-7-5-18(6-8-22)16-26-24(30)17-27-23(29)15-25-12-19-9-20(13-25)11-21(10-19)14-25/h5-8,19-21H,3-4,9-17H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyOQAJVMCZHZNESK-UHFFFAOYSA-N
XLogP3.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24549163
2-(1-adamantyl)-N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]acetamide
CID 55948108
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-[2-[[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24549162
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
cis-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230601
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119935574

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide (CID 26423380) is 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide?
The InChIKey is OQAJVMCZHZNESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S/c1-3-28(4-2)33(31,32)22-7-5-18(6-8-22)16-26-24(30)17-27-23(29)15-25-12-19-9-20(13-25)11-21(10-19)14-25/h5-8,19-21H,3-4,9-17H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide has a molecular weight of 475.66 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 26423380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).