2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide

C20H19N5O4S — CID 53071585

IUPAC2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1nnc(-c2cn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)o1
InChIInChI=1S/C20H19N5O4S/c1-2-19-23-24-20(29-19)16-11-25(17-6-4-3-5-15(16)17)12-18(26)22-13-7-9-14(10-8-13)30(21,27)28/h3-11H,2,12H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyVNROPPNICJQOLK-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.54
Rot. Bonds6

About 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 53071585) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID53071585
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC Name2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1nnc(-c2cn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)o1
InChIInChI=1S/C20H19N5O4S/c1-2-19-23-24-20(29-19)16-11-25(17-6-4-3-5-15(16)17)12-18(26)22-13-7-9-14(10-8-13)30(21,27)28/h3-11H,2,12H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyVNROPPNICJQOLK-UHFFFAOYSA-N
XLogP2.54
TPSA133.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 53071585) is 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide is CCc1nnc(-c2cn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc23)o1.
What is the InChIKey of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is VNROPPNICJQOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-2-19-23-24-20(29-19)16-11-25(17-6-4-3-5-15(16)17)12-18(26)22-13-7-9-14(10-8-13)30(21,27)28/h3-11H,2,12H2,1H3,(H,22,26)(H2,21,27,28).
What are the key properties of 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 425.47 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 53071585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).