3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide

C24H30N4O4S — CID 90294234

IUPAC3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C24H30N4O4S/c1-22(2,28-33(31,32)18-7-3-5-17-6-4-8-26-19(17)18)21(30)27-24-12-15-9-16(13-24)11-23(10-15,14-24)20(25)29/h3-8,15-16,28H,9-14H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyRYYBXYQULBDFNK-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.23
Rot. Bonds6

About 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide

3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide (PubChem CID 90294234) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
PubChem CID90294234
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C24H30N4O4S/c1-22(2,28-33(31,32)18-7-3-5-17-6-4-8-26-19(17)18)21(30)27-24-12-15-9-16(13-24)11-23(10-15,14-24)20(25)29/h3-8,15-16,28H,9-14H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyRYYBXYQULBDFNK-UHFFFAOYSA-N
XLogP2.23
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[(2,3-dichlorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294303
3-[[2-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294215
3-[[2-[(3,5-difluorophenyl)sulfonylamino]-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 90294283
N-(2-adamantyl)-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71246516
3-[[2-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]propanoyl]amino]adamantane-1-carboxamide
CID 90294281
N-[3-(hydroxymethyl)-2-bicyclo[3.3.1]nonanyl]-2-methyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 71248984
N-(1-adamantyl)-1-(quinolin-8-ylsulfonylamino)cyclobutane-1-carboxamide
CID 90294344
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
CID 146920788
3-[[1-[(3-chloro-2-methylphenyl)sulfonylamino]cyclobutanecarbonyl]amino]adamantane-1-carboxamide
CID 90294402
3-[3-methyl-2-oxo-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butyl]adamantane-1-carboxamide
CID 158407036
4-(2-oxo-2-quinolin-8-ylethyl)adamantane-1-carboxamide
CID 160788538

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide (CID 90294234) is 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide is CC(C)(NS(=O)(=O)c1cccc2cccnc12)C(=O)NC12CC3CC(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide?
The InChIKey is RYYBXYQULBDFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-22(2,28-33(31,32)18-7-3-5-17-6-4-8-26-19(17)18)21(30)27-24-12-15-9-16(13-24)11-23(10-15,14-24)20(25)29/h3-8,15-16,28H,9-14H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide?
3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 90294234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).