[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate

C15H20N2O5S — CID 2122685

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(20,21)13-6-4-11(5-7-13)8-9-17-14(18)10-22-15(19)12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,17,18)(H2,16,20,21)
InChIKeyRRAPDJJEJYHWEG-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.34
Rot. Bonds7

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate (PubChem CID 2122685) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate
PubChem CID2122685
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCC2)cc1
InChIInChI=1S/C15H20N2O5S/c16-23(20,21)13-6-4-11(5-7-13)8-9-17-14(18)10-22-15(19)12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,17,18)(H2,16,20,21)
InChIKeyRRAPDJJEJYHWEG-UHFFFAOYSA-N
XLogP0.34
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

16-(Toluene-4-sulfonyl)-1,7,13-trioxa-4,10,16-triaza-cyclooctadecane-3,11-dione
CID 654766
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 798105
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
[2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclobutanecarboxylate
CID 7717281
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(2,3,4-trifluorophenyl)sulfonylamino]acetate
CID 18205594
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 24685902
[2-Oxo-2-(2-phenylethylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24686724
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]acetamide
CID 650123
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 3155150
2-[(Cyclohexanecarbonyl)amino]-2-oxoethyl N-(4-methylbenzene-1-sulfonyl)-L-valinate
CID 16242555

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate (CID 2122685) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2CCC2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate?
The InChIKey is RRAPDJJEJYHWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(20,21)13-6-4-11(5-7-13)8-9-17-14(18)10-22-15(19)12-2-1-3-12/h4-7,12H,1-3,8-10H2,(H,17,18)(H2,16,20,21).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate has a molecular weight of 340.40 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] cyclobutanecarboxylate is sourced from PubChem (CID 2122685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).