(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

C22H24N2O6S — CID 5073388

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H24N2O6S/c1-16-13-17-5-2-3-8-20(17)24(16)31(27,28)19-7-4-6-18(14-19)22(26)30-15-21(25)23-9-11-29-12-10-23/h2-8,14,16H,9-13,15H2,1H3
InChIKeyRUIMNHZWFBZVJR-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.84
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate

(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (PubChem CID 5073388) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
PubChem CID5073388
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C22H24N2O6S/c1-16-13-17-5-2-3-8-20(17)24(16)31(27,28)19-7-4-6-18(14-19)22(26)30-15-21(25)23-9-11-29-12-10-23/h2-8,14,16H,9-13,15H2,1H3
InChIKeyRUIMNHZWFBZVJR-UHFFFAOYSA-N
XLogP1.84
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate (CID 5073388) is (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
The InChIKey is RUIMNHZWFBZVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-16-13-17-5-2-3-8-20(17)24(16)31(27,28)19-7-4-6-18(14-19)22(26)30-15-21(25)23-9-11-29-12-10-23/h2-8,14,16H,9-13,15H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate has a molecular weight of 444.51 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate is sourced from PubChem (CID 5073388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).