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

C17H22N2O5S — CID 3235797

IUPAC4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C17H22N2O5S/c20-16(7-8-17(21)22)19-10-9-12-11-14(5-6-15(12)19)25(23,24)18-13-3-1-2-4-13/h5-6,11,13,18H,1-4,7-10H2,(H,21,22)
InChIKeyBMZHQIUWTADJER-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.66
Rot. Bonds6

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

4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid (PubChem CID 3235797) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
PubChem CID3235797
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21
InChIInChI=1S/C17H22N2O5S/c20-16(7-8-17(21)22)19-10-9-12-11-14(5-6-15(12)19)25(23,24)18-13-3-1-2-4-13/h5-6,11,13,18H,1-4,7-10H2,(H,21,22)
InChIKeyBMZHQIUWTADJER-UHFFFAOYSA-N
XLogP1.66
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid (CID 3235797) is 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21.
What is the InChIKey of 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
The InChIKey is BMZHQIUWTADJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c20-16(7-8-17(21)22)19-10-9-12-11-14(5-6-15(12)19)25(23,24)18-13-3-1-2-4-13/h5-6,11,13,18H,1-4,7-10H2,(H,21,22).
What are the key properties of 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid?
4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid has a molecular weight of 366.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopentylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 3235797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).