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

C24H24N4O6S — CID 67195126

IUPAC2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
SMILESCc1ccc2c(c1-c1noc(-c3ccc(OC(C)C)c(C#N)c3)n1)CCC2NS(=O)(=O)CC(=O)O
InChIInChI=1S/C24H24N4O6S/c1-13(2)33-20-9-5-15(10-16(20)11-25)24-26-23(27-34-24)22-14(3)4-6-17-18(22)7-8-19(17)28-35(31,32)12-21(29)30/h4-6,9-10,13,19,28H,7-8,12H2,1-3H3,(H,29,30)
InChIKeyUTJFANXSMWAZOI-UHFFFAOYSA-N
MW496.55 g/mol
LogP3.36
Rot. Bonds8

About 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid (PubChem CID 67195126) has the molecular formula C24H24N4O6S and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
PubChem CID67195126
Molecular FormulaC24H24N4O6S
Molecular Weight496.55 g/mol
Exact Mass496.14
IUPAC Name2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid
SMILESCc1ccc2c(c1-c1noc(-c3ccc(OC(C)C)c(C#N)c3)n1)CCC2NS(=O)(=O)CC(=O)O
InChIInChI=1S/C24H24N4O6S/c1-13(2)33-20-9-5-15(10-16(20)11-25)24-26-23(27-34-24)22-14(3)4-6-17-18(22)7-8-19(17)28-35(31,32)12-21(29)30/h4-6,9-10,13,19,28H,7-8,12H2,1-3H3,(H,29,30)
InChIKeyUTJFANXSMWAZOI-UHFFFAOYSA-N
XLogP3.36
TPSA155.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid (CID 67195126) is 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-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]-5-methyl-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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid is Cc1ccc2c(c1-c1noc(-c3ccc(OC(C)C)c(C#N)c3)n1)CCC2NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid?
The InChIKey is UTJFANXSMWAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6S/c1-13(2)33-20-9-5-15(10-16(20)11-25)24-26-23(27-34-24)22-14(3)4-6-17-18(22)7-8-19(17)28-35(31,32)12-21(29)30/h4-6,9-10,13,19,28H,7-8,12H2,1-3H3,(H,29,30).
What are the key properties of 2-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid has a molecular weight of 496.55 g/mol, XLogP of 3.36, 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]-5-methyl-2,3-dihydro-1H-inden-1-yl]sulfamoyl]acetic acid is sourced from PubChem (CID 67195126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).