[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate

C16H22N2O5S — CID 5239686

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H22N2O5S/c17-24(21,22)14-7-3-6-13(10-14)18-15(19)11-23-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19)(H2,17,21,22)
InChIKeyFVZCJMMYXLPJPU-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.79
Rot. Bonds7

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate (PubChem CID 5239686) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate
PubChem CID5239686
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1
InChIInChI=1S/C16H22N2O5S/c17-24(21,22)14-7-3-6-13(10-14)18-15(19)11-23-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19)(H2,17,21,22)
InChIKeyFVZCJMMYXLPJPU-UHFFFAOYSA-N
XLogP1.79
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
1-(2-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2389343
1-(4-Fluorophenyl)-1-cyclopentanecarboxylic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester
CID 2418189
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-Oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 3976510
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
[2-(Cyclohexanecarbonylamino)-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4305442
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl adamantane-1-carboxylate
CID 4560537
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4591220
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
CID 5183111
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 7840791

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate (CID 5239686) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCC2CCCC2)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate?
The InChIKey is FVZCJMMYXLPJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c17-24(21,22)14-7-3-6-13(10-14)18-15(19)11-23-16(20)9-8-12-4-1-2-5-12/h3,6-7,10,12H,1-2,4-5,8-9,11H2,(H,18,19)(H2,17,21,22).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate has a molecular weight of 354.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 5239686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).