2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

C19H27N3O4S — CID 108520313

IUPAC2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H27N3O4S/c1-18(2)8-14-9-19(3,11-18)12-22(14)17(24)16(23)21-10-13-4-6-15(7-5-13)27(20,25)26/h4-7,14H,8-12H2,1-3H3,(H,21,23)(H2,20,25,26)
InChIKeyGYLJOYQUESCPMW-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.38
Rot. Bonds3

About 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide

2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (PubChem CID 108520313) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
PubChem CID108520313
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C19H27N3O4S/c1-18(2)8-14-9-19(3,11-18)12-22(14)17(24)16(23)21-10-13-4-6-15(7-5-13)27(20,25)26/h4-7,14H,8-12H2,1-3H3,(H,21,23)(H2,20,25,26)
InChIKeyGYLJOYQUESCPMW-UHFFFAOYSA-N
XLogP1.38
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
2-oxo-2-pyrrolidin-1-yl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 17248914
N',3,3-trimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738773
2-amino-1-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethanone
CID 7268032
N-cycloheptyl-2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108528980
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108517755
N-(4-aminophenyl)-2-oxo-N-phenyl-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 108525389
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
CID 154835131
N-(pyridin-4-ylmethyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl]benzamide
CID 24538423
[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 25041773

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide (CID 108520313) is 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide.
What is the SMILES notation for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The canonical SMILES for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is CC1(C)CC2CC(C)(CN2C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
The InChIKey is GYLJOYQUESCPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-18(2)8-14-9-19(3,11-18)12-22(14)17(24)16(23)21-10-13-4-6-15(7-5-13)27(20,25)26/h4-7,14H,8-12H2,1-3H3,(H,21,23)(H2,20,25,26).
What are the key properties of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide?
2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide is sourced from PubChem (CID 108520313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).