N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

C22H33N3O3S — CID 92663910

IUPACN-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H33N3O3S/c1-15-5-6-16(2)20(7-15)25(29(27,28)24(3)4)14-21(26)23-22-11-17-8-18(12-22)10-19(9-17)13-22/h5-7,17-19H,8-14H2,1-4H3,(H,23,26)
InChIKeyQRLOOSJAKIQENV-UHFFFAOYSA-N
MW419.59 g/mol
LogP3.00
Rot. Bonds6

About N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide

N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (PubChem CID 92663910) has the molecular formula C22H33N3O3S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
PubChem CID92663910
Molecular FormulaC22H33N3O3S
Molecular Weight419.59 g/mol
Exact Mass419.22
IUPAC NameN-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
SMILESCc1ccc(C)c(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C22H33N3O3S/c1-15-5-6-16(2)20(7-15)25(29(27,28)24(3)4)14-21(26)23-22-11-17-8-18(12-22)10-19(9-17)13-22/h5-7,17-19H,8-14H2,1-4H3,(H,23,26)
InChIKeyQRLOOSJAKIQENV-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
N-(1-adamantyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045207
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488
N-(2-tert-butylsulfanylethyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282024
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
N-(2,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282036
N-(3-chlorophenyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 92663794
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(4-phenoxyphenyl)acetamide
CID 92663800
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 53282064
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30390844

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide (CID 92663910) is N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is Cc1ccc(C)c(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
The InChIKey is QRLOOSJAKIQENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3S/c1-15-5-6-16(2)20(7-15)25(29(27,28)24(3)4)14-21(26)23-22-11-17-8-18(12-22)10-19(9-17)13-22/h5-7,17-19H,8-14H2,1-4H3,(H,23,26).
What are the key properties of N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide?
N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide has a molecular weight of 419.59 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide is sourced from PubChem (CID 92663910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).