2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid

C23H22N4O6S — CID 67195757

IUPAC2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NS(=O)(=O)CC(=O)O)no2)cc1C#N
InChIInChI=1S/C23H22N4O6S/c1-13(2)32-20-9-6-14(10-15(20)11-24)23-25-22(26-33-23)18-5-3-4-17-16(18)7-8-19(17)27-34(30,31)12-21(28)29/h3-6,9-10,13,19,27H,7-8,12H2,1-2H3,(H,28,29)
InChIKeyWHWVBRZUGHVNRS-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.05
Rot. Bonds8

About 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid

2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid (PubChem CID 67195757) has the molecular formula C23H22N4O6S and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
PubChem CID67195757
Molecular FormulaC23H22N4O6S
Molecular Weight482.52 g/mol
Exact Mass482.13
IUPAC Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NS(=O)(=O)CC(=O)O)no2)cc1C#N
InChIInChI=1S/C23H22N4O6S/c1-13(2)32-20-9-6-14(10-15(20)11-24)23-25-22(26-33-23)18-5-3-4-17-16(18)7-8-19(17)27-34(30,31)12-21(28)29/h3-6,9-10,13,19,27H,7-8,12H2,1-2H3,(H,28,29)
InChIKeyWHWVBRZUGHVNRS-UHFFFAOYSA-N
XLogP3.05
TPSA155.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid (CID 67195757) is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid is CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NS(=O)(=O)CC(=O)O)no2)cc1C#N.
What is the InChIKey of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid?
The InChIKey is WHWVBRZUGHVNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O6S/c1-13(2)32-20-9-6-14(10-15(20)11-24)23-25-22(26-33-23)18-5-3-4-17-16(18)7-8-19(17)27-34(30,31)12-21(28)29/h3-6,9-10,13,19,27H,7-8,12H2,1-2H3,(H,28,29).
What are the key properties of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid?
2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid has a molecular weight of 482.52 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid is sourced from PubChem (CID 67195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).