[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C23H26N2O6S — CID 4283857

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCC1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC(C)O1
InChIInChI=1S/C23H26N2O6S/c1-16-13-24(14-17(2)31-16)22(26)15-30-23(27)19-7-5-8-20(12-19)32(28,29)25-11-10-18-6-3-4-9-21(18)25/h3-9,12,16-17H,10-11,13-15H2,1-2H3
InChIKeyYXFPXTUHHPZEPD-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.23
Rot. Bonds5

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 4283857) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID4283857
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESCC1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC(C)O1
InChIInChI=1S/C23H26N2O6S/c1-16-13-24(14-17(2)31-16)22(26)15-30-23(27)19-7-5-8-20(12-19)32(28,29)25-11-10-18-6-3-4-9-21(18)25/h3-9,12,16-17H,10-11,13-15H2,1-2H3
InChIKeyYXFPXTUHHPZEPD-UHFFFAOYSA-N
XLogP2.23
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4405929
[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 16392702
Ethyl 4-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)benzoate
CID 15990560
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(methylsulfamoyl)benzoate
CID 2097336
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(diethylsulfamoyl)benzoate
CID 2119081
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2332648
[2-(2,6-Difluoroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338052
[2-(2,3-Dimethylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338163

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 4283857) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is CC1CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC(C)O1.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is YXFPXTUHHPZEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-16-13-24(14-17(2)31-16)22(26)15-30-23(27)19-7-5-8-20(12-19)32(28,29)25-11-10-18-6-3-4-9-21(18)25/h3-9,12,16-17H,10-11,13-15H2,1-2H3.
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 458.54 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 4283857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).