2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide

C21H21N3O4S — CID 4278105

IUPAC2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N3O4S/c25-19(23-7-9-28-10-8-23)14-24-13-17(16-5-1-2-6-18(16)24)20(26)21(27)22-12-15-4-3-11-29-15/h1-6,11,13H,7-10,12,14H2,(H,22,27)
InChIKeyDZERIVKYRJQAMY-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide

2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4278105) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4278105
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C21H21N3O4S/c25-19(23-7-9-28-10-8-23)14-24-13-17(16-5-1-2-6-18(16)24)20(26)21(27)22-12-15-4-3-11-29-15/h1-6,11,13H,7-10,12,14H2,(H,22,27)
InChIKeyDZERIVKYRJQAMY-UHFFFAOYSA-N
XLogP2.06
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 18562402
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 4277938
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
N-(2-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085757
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162401
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide (CID 4278105) is 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide is O=C(NCc1cccs1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DZERIVKYRJQAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-19(23-7-9-28-10-8-23)14-24-13-17(16-5-1-2-6-18(16)24)20(26)21(27)22-12-15-4-3-11-29-15/h1-6,11,13H,7-10,12,14H2,(H,22,27).
What are the key properties of 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4278105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).