5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

C18H26N2O5S — CID 20858685

IUPAC5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O
InChIInChI=1S/C18H26N2O5S/c1-13(2)8-10-19-26(24,25)15-6-7-16-14(12-15)9-11-20(16)17(21)4-3-5-18(22)23/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,22,23)
InChIKeySJMHPUGUNQGMJW-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.15
Rot. Bonds9

About 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (PubChem CID 20858685) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
PubChem CID20858685
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O
InChIInChI=1S/C18H26N2O5S/c1-13(2)8-10-19-26(24,25)15-6-7-16-14(12-15)9-11-20(16)17(21)4-3-5-18(22)23/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,22,23)
InChIKeySJMHPUGUNQGMJW-UHFFFAOYSA-N
XLogP2.15
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
4-[5-(2-ethylhexylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 3243399
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247963
5-(3-methylbutylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
CID 99986428
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
4-[5-[(3-chloro-4-methylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864322
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(2-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53057581

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (CID 20858685) is 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCC(=O)O.
What is the InChIKey of 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The InChIKey is SJMHPUGUNQGMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13(2)8-10-19-26(24,25)15-6-7-16-14(12-15)9-11-20(16)17(21)4-3-5-18(22)23/h6-7,12-13,19H,3-5,8-11H2,1-2H3,(H,22,23).
What are the key properties of 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid has a molecular weight of 382.48 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 20858685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).