[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

C23H24N2O5S — CID 2410032

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24N2O5S/c1-16-22(19-10-3-4-11-20(19)24-16)21(26)15-30-23(27)17-8-7-9-18(14-17)31(28,29)25-12-5-2-6-13-25/h3-4,7-11,14,24H,2,5-6,12-13,15H2,1H3
InChIKeyQJVACEXTVFEVEB-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.69
Rot. Bonds6

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2410032) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
PubChem CID2410032
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H24N2O5S/c1-16-22(19-10-3-4-11-20(19)24-16)21(26)15-30-23(27)17-8-7-9-18(14-17)31(28,29)25-12-5-2-6-13-25/h3-4,7-11,14,24H,2,5-6,12-13,15H2,1H3
InChIKeyQJVACEXTVFEVEB-UHFFFAOYSA-N
XLogP3.69
TPSA96.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (CID 2410032) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is QJVACEXTVFEVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-16-22(19-10-3-4-11-20(19)24-16)21(26)15-30-23(27)17-8-7-9-18(14-17)31(28,29)25-12-5-2-6-13-25/h3-4,7-11,14,24H,2,5-6,12-13,15H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 440.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2410032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).