N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide

C23H22N8O4S — CID 70945024

IUPACN-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)cc1
InChIInChI=1S/C23H22N8O4S/c1-16(32)26-17-6-8-18(9-7-17)36(33,34)25-14-21-27-23(35-29-21)22-19-4-2-3-5-20(19)28-31(22)13-12-30-11-10-24-15-30/h2-11,15,25H,12-14H2,1H3,(H,26,32)
InChIKeyQUFAEYGIIQCVBJ-UHFFFAOYSA-N
MW506.55 g/mol
LogP2.42
Rot. Bonds9

About N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide

N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide (PubChem CID 70945024) has the molecular formula C23H22N8O4S and a molecular weight of 506.55 g/mol. Its IUPAC name is N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide
PubChem CID70945024
Molecular FormulaC23H22N8O4S
Molecular Weight506.55 g/mol
Exact Mass506.15
IUPAC NameN-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)cc1
InChIInChI=1S/C23H22N8O4S/c1-16(32)26-17-6-8-18(9-7-17)36(33,34)25-14-21-27-23(35-29-21)22-19-4-2-3-5-20(19)28-31(22)13-12-30-11-10-24-15-30/h2-11,15,25H,12-14H2,1H3,(H,26,32)
InChIKeyQUFAEYGIIQCVBJ-UHFFFAOYSA-N
XLogP2.42
TPSA149.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.55
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide (CID 70945024) is N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)cc1.
What is the InChIKey of N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide?
The InChIKey is QUFAEYGIIQCVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O4S/c1-16(32)26-17-6-8-18(9-7-17)36(33,34)25-14-21-27-23(35-29-21)22-19-4-2-3-5-20(19)28-31(22)13-12-30-11-10-24-15-30/h2-11,15,25H,12-14H2,1H3,(H,26,32).
What are the key properties of N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide?
N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide has a molecular weight of 506.55 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 70945024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).