N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide

C26H35N3OS — CID 144523073

IUPACN-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide
SMILESCCC1CC2CC(C)CC(C2)C1NC(=O)C1(NSc2cccc3cccnc23)CCC1
InChIInChI=1S/C26H35N3OS/c1-3-19-15-18-13-17(2)14-21(16-18)23(19)28-25(30)26(10-6-11-26)29-31-22-9-4-7-20-8-5-12-27-24(20)22/h4-5,7-9,12,17-19,21,23,29H,3,6,10-11,13-16H2,1-2H3,(H,28,30)
InChIKeyVKOMGOODZSINOR-UHFFFAOYSA-N
MW437.65 g/mol
LogP5.72
Rot. Bonds6

About N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide

N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide (PubChem CID 144523073) has the molecular formula C26H35N3OS and a molecular weight of 437.65 g/mol. Its IUPAC name is N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide
PubChem CID144523073
Molecular FormulaC26H35N3OS
Molecular Weight437.65 g/mol
Exact Mass437.25
IUPAC NameN-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide
SMILESCCC1CC2CC(C)CC(C2)C1NC(=O)C1(NSc2cccc3cccnc23)CCC1
InChIInChI=1S/C26H35N3OS/c1-3-19-15-18-13-17(2)14-21(16-18)23(19)28-25(30)26(10-6-11-26)29-31-22-9-4-7-20-8-5-12-27-24(20)22/h4-5,7-9,12,17-19,21,23,29H,3,6,10-11,13-16H2,1-2H3,(H,28,30)
InChIKeyVKOMGOODZSINOR-UHFFFAOYSA-N
XLogP5.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide with MolForge

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5309973
N-(2-methylcyclohexyl)-2-[methyl(8-quinolylsulfonyl)amino]acetamide
CID 6622896
N~1~-cyclooctyl-N~2~-methyl-N~2~-(quinolin-8-ylsulfonyl)glycinamide
CID 5307303
N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 5307596
N-cycloheptyl-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 5308074
N-cyclopentyl-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 5308268
N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 5308314
N-{2-[Ethyl(phenyl)amino]ethyl}-1-(quinoline-8-sulfonyl)piperidine-4-carboxamide
CID 5309142
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309306
N-benzyl-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309863
N-[4-(Propan-2-YL)phenyl]-1-(quinoline-8-sulfonyl)piperidine-3-carboxamide
CID 16010011
N-(2,4-dimethylphenyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 16010689

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide?
The IUPAC name of N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide (CID 144523073) is N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide is CCC1CC2CC(C)CC(C2)C1NC(=O)C1(NSc2cccc3cccnc23)CCC1.
What is the InChIKey of N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide?
The InChIKey is VKOMGOODZSINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3OS/c1-3-19-15-18-13-17(2)14-21(16-18)23(19)28-25(30)26(10-6-11-26)29-31-22-9-4-7-20-8-5-12-27-24(20)22/h4-5,7-9,12,17-19,21,23,29H,3,6,10-11,13-16H2,1-2H3,(H,28,30).
What are the key properties of N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide?
N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide has a molecular weight of 437.65 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-1-(quinolin-8-ylsulfanylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 144523073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).