N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide

C23H29N3O3S — CID 71246516

IUPACN-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H29N3O3S/c1-23(2,22(27)25-20-17-10-14-9-15(12-17)13-18(20)11-14)26-30(28,29)19-7-3-5-16-6-4-8-24-21(16)19/h3-8,14-15,17-18,20,26H,9-13H2,1-2H3,(H,25,27)
InChIKeyFQQBEPIOBJZJPA-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.23
Rot. Bonds5

About N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide

N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide (PubChem CID 71246516) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
PubChem CID71246516
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H29N3O3S/c1-23(2,22(27)25-20-17-10-14-9-15(12-17)13-18(20)11-14)26-30(28,29)19-7-3-5-16-6-4-8-24-21(16)19/h3-8,14-15,17-18,20,26H,9-13H2,1-2H3,(H,25,27)
InChIKeyFQQBEPIOBJZJPA-UHFFFAOYSA-N
XLogP3.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71248984
N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
CID 71246706
N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
CID 71247729
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
N-(2-adamantyl)-2-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 71246911
11-[[2-methyl-2-[methyl(quinolin-8-ylsulfonyl)amino]propanoyl]amino]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxylic acid
CID 71248968
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
CID 90294344
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The IUPAC name of N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide (CID 71246516) is N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The canonical SMILES for N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide is CC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
The InChIKey is FQQBEPIOBJZJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-23(2,22(27)25-20-17-10-14-9-15(12-17)13-18(20)11-14)26-30(28,29)19-7-3-5-16-6-4-8-24-21(16)19/h3-8,14-15,17-18,20,26H,9-13H2,1-2H3,(H,25,27).
What are the key properties of N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide?
N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide has a molecular weight of 427.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide is sourced from PubChem (CID 71246516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).