5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

C21H24N2O5S — CID 4120901

IUPAC5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCCC(=O)O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-5-7-16(8-6-15)14-22-29(27,28)18-9-10-19-17(13-18)11-12-23(19)20(24)3-2-4-21(25)26/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,25,26)
InChIKeyDRILYPOLBNYXNU-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.62
Rot. Bonds8

About 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (PubChem CID 4120901) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
PubChem CID4120901
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCCC(=O)O)cc1
InChIInChI=1S/C21H24N2O5S/c1-15-5-7-16(8-6-15)14-22-29(27,28)18-9-10-19-17(13-18)11-12-23(19)20(24)3-2-4-21(25)26/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,25,26)
InChIKeyDRILYPOLBNYXNU-UHFFFAOYSA-N
XLogP2.62
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
4-[5-(2-ethylhexylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 3243399
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-[(4-imidazol-1-ylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100502862
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53004989

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (CID 4120901) is 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The InChIKey is DRILYPOLBNYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15-5-7-16(8-6-15)14-22-29(27,28)18-9-10-19-17(13-18)11-12-23(19)20(24)3-2-4-21(25)26/h5-10,13,22H,2-4,11-12,14H2,1H3,(H,25,26).
What are the key properties of 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid has a molecular weight of 416.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 4120901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).