[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

C22H24N2O5S — CID 4517012

IUPAC[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O5S/c1-16(21(25)24-15-12-17-6-2-3-7-20(17)24)29-22(26)18-8-10-19(11-9-18)30(27,28)23-13-4-5-14-23/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyUUWSGUGOTBIMHL-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.61
Rot. Bonds5

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate (PubChem CID 4517012) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
PubChem CID4517012
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N2O5S/c1-16(21(25)24-15-12-17-6-2-3-7-20(17)24)29-22(26)18-8-10-19(11-9-18)30(27,28)23-13-4-5-14-23/h2-3,6-11,16H,4-5,12-15H2,1H3
InChIKeyUUWSGUGOTBIMHL-UHFFFAOYSA-N
XLogP2.61
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate (CID 4517012) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate is CC(OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N1CCc2ccccc21.
What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate?
The InChIKey is UUWSGUGOTBIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-16(21(25)24-15-12-17-6-2-3-7-20(17)24)29-22(26)18-8-10-19(11-9-18)30(27,28)23-13-4-5-14-23/h2-3,6-11,16H,4-5,12-15H2,1H3.
What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate?
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate has a molecular weight of 428.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 4517012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).