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

C13H18N2O5S — CID 7790348

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O5S/c1-2-3-7-13(17)20-9-12(16)15-10-5-4-6-11(8-10)21(14,18)19/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)(H2,14,18,19)
InChIKeyRWSNYJVHMQPSSO-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.01
Rot. Bonds7

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

[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate (PubChem CID 7790348) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
PubChem CID7790348
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate
SMILESCCCCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H18N2O5S/c1-2-3-7-13(17)20-9-12(16)15-10-5-4-6-11(8-10)21(14,18)19/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)(H2,14,18,19)
InChIKeyRWSNYJVHMQPSSO-UHFFFAOYSA-N
XLogP1.01
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] butanoate
CID 7796929
[2-oxo-2-(3-sulfamoylanilino)ethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16534909
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-[(3R)-dithiolan-3-yl]pentanoate
CID 7963060
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(4-butylphenyl)acetate
CID 8970808
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
(2S)-2-amino-N-(3-sulfamoylphenyl)hexanamide
CID 107143839
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 26747038
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615503
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
[2-oxo-2-(4-phenylanilino)ethyl] pentanoate
CID 2628922
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate (CID 7790348) is [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate is CCCCC(=O)OCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate?
The InChIKey is RWSNYJVHMQPSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-3-7-13(17)20-9-12(16)15-10-5-4-6-11(8-10)21(14,18)19/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)(H2,14,18,19).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] pentanoate has a molecular weight of 314.36 g/mol, XLogP of 1.01, 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] pentanoate is sourced from PubChem (CID 7790348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).