ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate

C22H29N3O7S — CID 43958267

IUPACethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C22H29N3O7S/c1-4-31-22(28)9-23-20(26)14-33(29,30)19-12-24(18-8-6-5-7-17(18)19)13-21(27)25-10-15(2)32-16(3)11-25/h5-8,12,15-16H,4,9-11,13-14H2,1-3H3,(H,23,26)
InChIKeyZUVITYBLJFHUFQ-UHFFFAOYSA-N
MW479.56 g/mol
LogP0.73
Rot. Bonds8

About ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate

ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate (PubChem CID 43958267) has the molecular formula C22H29N3O7S and a molecular weight of 479.56 g/mol. Its IUPAC name is ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate
PubChem CID43958267
Molecular FormulaC22H29N3O7S
Molecular Weight479.56 g/mol
Exact Mass479.17
IUPAC Nameethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C22H29N3O7S/c1-4-31-22(28)9-23-20(26)14-33(29,30)19-12-24(18-8-6-5-7-17(18)19)13-21(27)25-10-15(2)32-16(3)11-25/h5-8,12,15-16H,4,9-11,13-14H2,1-3H3,(H,23,26)
InChIKeyZUVITYBLJFHUFQ-UHFFFAOYSA-N
XLogP0.73
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate with MolForge

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Related Compounds

2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide
CID 18563683
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 20902720
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-propylacetamide
CID 27636487
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130
N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563513
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-[1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 27655911
4-[[2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]benzamide
CID 18563679

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate (CID 43958267) is ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate is CCOC(=O)CNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12.
What is the InChIKey of ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate?
The InChIKey is ZUVITYBLJFHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O7S/c1-4-31-22(28)9-23-20(26)14-33(29,30)19-12-24(18-8-6-5-7-17(18)19)13-21(27)25-10-15(2)32-16(3)11-25/h5-8,12,15-16H,4,9-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate?
ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate has a molecular weight of 479.56 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate is sourced from PubChem (CID 43958267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).