N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide

C24H29N3O3S — CID 90294344

IUPACN-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1(NS(=O)(=O)c2cccc3cccnc23)CCC1
InChIInChI=1S/C24H29N3O3S/c28-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)24(7-3-8-24)27-31(29,30)20-6-1-4-19-5-2-9-25-21(19)20/h1-2,4-6,9,16-18,27H,3,7-8,10-15H2,(H,26,28)
InChIKeyNGGIKIQJGZAAPO-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.52
Rot. Bonds5

About N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide

N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide (PubChem CID 90294344) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
PubChem CID90294344
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1(NS(=O)(=O)c2cccc3cccnc23)CCC1
InChIInChI=1S/C24H29N3O3S/c28-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)24(7-3-8-24)27-31(29,30)20-6-1-4-19-5-2-9-25-21(19)20/h1-2,4-6,9,16-18,27H,3,7-8,10-15H2,(H,26,28)
InChIKeyNGGIKIQJGZAAPO-UHFFFAOYSA-N
XLogP3.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
CID 71247729
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
CID 146920788
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
CID 90294234
3-ethyl-6-[[1-(quinolin-8-ylsulfonylamino)cyclohexanecarbonyl]amino]bicyclo[3.3.1]nonane-1-carboxamide
CID 71249090
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
CID 99802354

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide (CID 90294344) is N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1(NS(=O)(=O)c2cccc3cccnc23)CCC1.
What is the InChIKey of N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide?
The InChIKey is NGGIKIQJGZAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c28-22(26-23-13-16-10-17(14-23)12-18(11-16)15-23)24(7-3-8-24)27-31(29,30)20-6-1-4-19-5-2-9-25-21(19)20/h1-2,4-6,9,16-18,27H,3,7-8,10-15H2,(H,26,28).
What are the key properties of N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide?
N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 90294344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).