2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C25H26N4O3S — CID 67453714

IUPAC2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCCc1cccc(CC)c1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)21(16)15-24(30)27-19-11-12-23-22(14-19)25(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
InChIKeyBDKVLDAMYXJQTH-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.18
Rot. Bonds7

About 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67453714) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67453714
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCCc1cccc(CC)c1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIInChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)21(16)15-24(30)27-19-11-12-23-22(14-19)25(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32)
InChIKeyBDKVLDAMYXJQTH-UHFFFAOYSA-N
XLogP4.18
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67453714) is 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is CCc1cccc(CC)c1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1.
What is the InChIKey of 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is BDKVLDAMYXJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-3-16-7-5-8-17(4-2)21(16)15-24(30)27-19-11-12-23-22(14-19)25(29-28-23)18-9-6-10-20(13-18)33(26,31)32/h5-14H,3-4,15H2,1-2H3,(H,27,30)(H,28,29)(H2,26,31,32).
What are the key properties of 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67453714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).