[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C17H22N2O5S — CID 3976510

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2O5S/c18-25(22,23)15-3-1-2-14(9-15)19-16(20)10-24-17(21)8-13-7-11-4-5-12(13)6-11/h1-3,9,11-13H,4-8,10H2,(H,19,20)(H2,18,22,23)
InChIKeyQWWINIJZLVGINM-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.64
Rot. Bonds6

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 3976510) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID3976510
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2O5S/c18-25(22,23)15-3-1-2-14(9-15)19-16(20)10-24-17(21)8-13-7-11-4-5-12(13)6-11/h1-3,9,11-13H,4-8,10H2,(H,19,20)(H2,18,22,23)
InChIKeyQWWINIJZLVGINM-UHFFFAOYSA-N
XLogP1.64
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3947818
[2-Oxo-2-(3-sulfamoylanilino)ethyl] cyclohexanecarboxylate
CID 3359578
[2-(4-Chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4004588
[2-(4-Fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4225943
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 4282973
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
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] cyclohexanecarboxylate
CID 16283110
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-cyclopentylacetate
CID 16523089
[2-[5-(Dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 24983071

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 3976510) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)CC2CC3CCC2C3)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is QWWINIJZLVGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c18-25(22,23)15-3-1-2-14(9-15)19-16(20)10-24-17(21)8-13-7-11-4-5-12(13)6-11/h1-3,9,11-13H,4-8,10H2,(H,19,20)(H2,18,22,23).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 366.44 g/mol, XLogP of 1.64, 6 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] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 3976510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).