[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

C23H26N2O5S — CID 2574061

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H26N2O5S/c1-17-9-10-19(31(28,29)24-12-5-2-6-13-24)15-20(17)23(27)30-16-22(26)25-14-11-18-7-3-4-8-21(18)25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3
InChIKeyCDGLDVQATRYNJL-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.92
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 2574061) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID2574061
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H26N2O5S/c1-17-9-10-19(31(28,29)24-12-5-2-6-13-24)15-20(17)23(27)30-16-22(26)25-14-11-18-7-3-4-8-21(18)25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3
InChIKeyCDGLDVQATRYNJL-UHFFFAOYSA-N
XLogP2.92
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2661673
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 2546782
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 16530525
[2-oxo-2-(pentylamino)ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 9339792
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28590324
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 71954487
2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5221069
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2573808
2-propan-2-yloxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 55356811
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate
CID 2636856
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26532522
[2-(azepan-1-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849759

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate (CID 2574061) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)N1CCc2ccccc21.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is CDGLDVQATRYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-17-9-10-19(31(28,29)24-12-5-2-6-13-24)15-20(17)23(27)30-16-22(26)25-14-11-18-7-3-4-8-21(18)25/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 442.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).