[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

C18H17N5O6S — CID 46428131

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C18H17N5O6S/c19-30(26,27)13-6-4-12(5-7-13)21-15(24)11-28-17(25)9-8-16-22-18(23-29-16)14-3-1-2-10-20-14/h1-7,10H,8-9,11H2,(H,21,24)(H2,19,26,27)
InChIKeyNXIVPCUAHGICCY-UHFFFAOYSA-N
MW431.43 g/mol
LogP0.89
Rot. Bonds8

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (PubChem CID 46428131) has the molecular formula C18H17N5O6S and a molecular weight of 431.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
PubChem CID46428131
Molecular FormulaC18H17N5O6S
Molecular Weight431.43 g/mol
Exact Mass431.09
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C18H17N5O6S/c19-30(26,27)13-6-4-12(5-7-13)21-15(24)11-28-17(25)9-8-16-22-18(23-29-16)14-3-1-2-10-20-14/h1-7,10H,8-9,11H2,(H,21,24)(H2,19,26,27)
InChIKeyNXIVPCUAHGICCY-UHFFFAOYSA-N
XLogP0.89
TPSA167.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428179
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459157
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
CID 100758466
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428237

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate (CID 46428131) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
The InChIKey is NXIVPCUAHGICCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6S/c19-30(26,27)13-6-4-12(5-7-13)21-15(24)11-28-17(25)9-8-16-22-18(23-29-16)14-3-1-2-10-20-14/h1-7,10H,8-9,11H2,(H,21,24)(H2,19,26,27).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate has a molecular weight of 431.43 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate is sourced from PubChem (CID 46428131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).