[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

C24H34N2O6S — CID 4118927

IUPAC[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H34N2O6S/c1-17(22-15-19-2-6-20(22)14-19)25-23(27)16-32-24(28)9-5-18-3-7-21(8-4-18)33(29,30)26-10-12-31-13-11-26/h3-4,7-8,17,19-20,22H,2,5-6,9-16H2,1H3,(H,25,27)
InChIKeyOVEWVTVJIZIPJT-UHFFFAOYSA-N
MW478.61 g/mol
LogP2.12
Rot. Bonds9

About [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (PubChem CID 4118927) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
PubChem CID4118927
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC Name[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
SMILESCC(NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC2CCC1C2
InChIInChI=1S/C24H34N2O6S/c1-17(22-15-19-2-6-20(22)14-19)25-23(27)16-32-24(28)9-5-18-3-7-21(8-4-18)33(29,30)26-10-12-31-13-11-26/h3-4,7-8,17,19-20,22H,2,5-6,9-16H2,1H3,(H,25,27)
InChIKeyOVEWVTVJIZIPJT-UHFFFAOYSA-N
XLogP2.12
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate with MolForge

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Related Compounds

[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 3906998
[2-(Cycloheptylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4624678
[2-(Benzylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4125145
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5060571
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 25163820
[2-Oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 4620829
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 4622552
[2-Oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 16261107
6-amino-2-[[(Z)-7-[3-[(4-methylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoyl]amino]hexanoic acid
CID 44209201
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 17550243

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate (CID 4118927) is [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is CC(NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC2CCC1C2.
What is the InChIKey of [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
The InChIKey is OVEWVTVJIZIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O6S/c1-17(22-15-19-2-6-20(22)14-19)25-23(27)16-32-24(28)9-5-18-3-7-21(8-4-18)33(29,30)26-10-12-31-13-11-26/h3-4,7-8,17,19-20,22H,2,5-6,9-16H2,1H3,(H,25,27).
What are the key properties of [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate?
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate has a molecular weight of 478.61 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 4118927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).