4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid

C20H28N2O5S — CID 20864290

IUPAC4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C20H28N2O5S/c23-19(10-11-20(24)25)22-13-12-15-14-17(8-9-18(15)22)28(26,27)21-16-6-4-2-1-3-5-7-16/h8-9,14,16,21H,1-7,10-13H2,(H,24,25)
InChIKeyDEYPXGYUDHWIRH-UHFFFAOYSA-N
MW408.52 g/mol
LogP2.83
Rot. Bonds6

About 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid

4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid (PubChem CID 20864290) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
PubChem CID20864290
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC Name4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C20H28N2O5S/c23-19(10-11-20(24)25)22-13-12-15-14-17(8-9-18(15)22)28(26,27)21-16-6-4-2-1-3-5-7-16/h8-9,14,16,21H,1-7,10-13H2,(H,24,25)
InChIKeyDEYPXGYUDHWIRH-UHFFFAOYSA-N
XLogP2.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
3-[[1-(3-carboxypropanoyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoic acid
CID 20864325
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
N-cyclopentyl-1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 19164445
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
4-[5-[(3-chloro-4-methylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864322
N-cyclopentyl-1-[4-(dimethylsulfamoyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 19164501
N-cyclopentyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164410

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid (CID 20864290) is 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21.
What is the InChIKey of 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The InChIKey is DEYPXGYUDHWIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c23-19(10-11-20(24)25)22-13-12-15-14-17(8-9-18(15)22)28(26,27)21-16-6-4-2-1-3-5-7-16/h8-9,14,16,21H,1-7,10-13H2,(H,24,25).
What are the key properties of 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid has a molecular weight of 408.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 20864290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).