N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide

C25H31N3O3S — CID 71247729

IUPACN-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1(NS(=O)(=O)c2cccc3cccnc23)CCCC1
InChIInChI=1S/C25H31N3O3S/c29-24(27-22-19-12-16-11-17(14-19)15-20(22)13-16)25(8-1-2-9-25)28-32(30,31)21-7-3-5-18-6-4-10-26-23(18)21/h3-7,10,16-17,19-20,22,28H,1-2,8-9,11-15H2,(H,27,29)
InChIKeyFXKZLLZPBWWYLN-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.77
Rot. Bonds5

About N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide

N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide (PubChem CID 71247729) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
PubChem CID71247729
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1(NS(=O)(=O)c2cccc3cccnc23)CCCC1
InChIInChI=1S/C25H31N3O3S/c29-24(27-22-19-12-16-11-17(14-19)15-20(22)13-16)25(8-1-2-9-25)28-32(30,31)21-7-3-5-18-6-4-10-26-23(18)21/h3-7,10,16-17,19-20,22,28H,1-2,8-9,11-15H2,(H,27,29)
InChIKeyFXKZLLZPBWWYLN-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
CID 90294344
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
3-ethyl-6-[[1-(quinolin-8-ylsulfonylamino)cyclohexanecarbonyl]amino]bicyclo[3.3.1]nonane-1-carboxamide
CID 71249090
4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
CID 146920788
N-[1-(aminomethyl)cyclopentyl]quinoline-8-sulfonamide
CID 75431004
N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide
CID 144523073
N-methyl-4-[[1-[(2-nitrophenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 71247813
N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71248984
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
4-[[1-[(1-methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035243

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide (CID 71247729) is N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1(NS(=O)(=O)c2cccc3cccnc23)CCCC1.
What is the InChIKey of N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide?
The InChIKey is FXKZLLZPBWWYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c29-24(27-22-19-12-16-11-17(14-19)15-20(22)13-16)25(8-1-2-9-25)28-32(30,31)21-7-3-5-18-6-4-10-26-23(18)21/h3-7,10,16-17,19-20,22,28H,1-2,8-9,11-15H2,(H,27,29).
What are the key properties of N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide?
N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 71247729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).