2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide

C21H29N3O6S — CID 18563683

IUPAC2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H29N3O6S/c1-15-10-24(11-16(2)30-15)21(26)13-23-12-19(17-6-4-5-7-18(17)23)31(27,28)14-20(25)22-8-9-29-3/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,22,25)
InChIKeyDDEFDNQNCQFWLV-UHFFFAOYSA-N
MW451.55 g/mol
LogP0.81
Rot. Bonds8

About 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide

2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide (PubChem CID 18563683) has the molecular formula C21H29N3O6S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide
PubChem CID18563683
Molecular FormulaC21H29N3O6S
Molecular Weight451.55 g/mol
Exact Mass451.18
IUPAC Name2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H29N3O6S/c1-15-10-24(11-16(2)30-15)21(26)13-23-12-19(17-6-4-5-7-18(17)23)31(27,28)14-20(25)22-8-9-29-3/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,22,25)
InChIKeyDDEFDNQNCQFWLV-UHFFFAOYSA-N
XLogP0.81
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[[2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonylacetyl]amino]acetate
CID 43958267
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
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
2-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]indol-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 40940106
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-(4-methoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563430
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
N-(4-chlorophenyl)-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563649
N-(2,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
CID 16812456

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide (CID 18563683) is 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)(=O)c1cn(CC(=O)N2CC(C)OC(C)C2)c2ccccc12.
What is the InChIKey of 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide?
The InChIKey is DDEFDNQNCQFWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O6S/c1-15-10-24(11-16(2)30-15)21(26)13-23-12-19(17-6-4-5-7-18(17)23)31(27,28)14-20(25)22-8-9-29-3/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide?
2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide has a molecular weight of 451.55 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 18563683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).