4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide

C25H29N3O4S — CID 146920788

IUPAC4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(CC(=O)C1(NS(=O)(=O)c4cccc5cccnc45)CC1)C(C3)C2
InChIInChI=1S/C25H29N3O4S/c26-23(30)24-12-15-9-17(13-24)19(18(10-15)14-24)11-21(29)25(6-7-25)28-33(31,32)20-5-1-3-16-4-2-8-27-22(16)20/h1-5,8,15,17-19,28H,6-7,9-14H2,(H2,26,30)
InChIKeyADDGQURVNLYZBQ-UHFFFAOYSA-N
MW467.59 g/mol
LogP2.93
Rot. Bonds7

About 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide

4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide (PubChem CID 146920788) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
PubChem CID146920788
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide
SMILESNC(=O)C12CC3CC(C1)C(CC(=O)C1(NS(=O)(=O)c4cccc5cccnc45)CC1)C(C3)C2
InChIInChI=1S/C25H29N3O4S/c26-23(30)24-12-15-9-17(13-24)19(18(10-15)14-24)11-21(29)25(6-7-25)28-33(31,32)20-5-1-3-16-4-2-8-27-22(16)20/h1-5,8,15,17-19,28H,6-7,9-14H2,(H2,26,30)
InChIKeyADDGQURVNLYZBQ-UHFFFAOYSA-N
XLogP2.93
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide with MolForge

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Related Compounds

N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(quinolin-8-ylsulfonyl)piperidin-2-yl)acetamide
CID 44410250
4-[[1-[(1-Methylindol-7-yl)sulfonylamino]cyclopropanecarbonyl]amino]adamantane-1-carboxamide
CID 118035243
N-[(4-methylphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880572
[(1S)-3-methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid
CID 71719718
N-[[4-(pyrrolidine-1-carbonyl)cyclohexyl]methyl]quinoline-8-sulfonamide
CID 5307665
N-[[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]methyl]quinoline-8-sulfonamide
CID 5309410
N,N-diethyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309773
N-(2-phenylethyl)-4-{[(quinolin-8-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 6620012
N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]quinoline-8-sulfonamide
CID 6623002
N-cyclohexyl-N-methyl-4-[(quinoline-8-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 6623038
N-benzyl-N-methyl-4-{[(quinolin-8-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 16189342
N-(4-methylcyclohexyl)-4-[(8-quinolylsulfonylamino)methyl]cyclohexanecarboxamide
CID 20880587

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide (CID 146920788) is 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide is NC(=O)C12CC3CC(C1)C(CC(=O)C1(NS(=O)(=O)c4cccc5cccnc45)CC1)C(C3)C2.
What is the InChIKey of 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide?
The InChIKey is ADDGQURVNLYZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c26-23(30)24-12-15-9-17(13-24)19(18(10-15)14-24)11-21(29)25(6-7-25)28-33(31,32)20-5-1-3-16-4-2-8-27-22(16)20/h1-5,8,15,17-19,28H,6-7,9-14H2,(H2,26,30).
What are the key properties of 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide?
4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[1-(quinolin-8-ylsulfonylamino)cyclopropyl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 146920788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).