2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

C22H31N3O5S — CID 24891981

IUPAC2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)C(C)C
InChIInChI=1S/C22H31N3O5S/c1-16(2)25(17(3)4)21(26)14-24-13-20(18-7-5-6-8-19(18)24)31(28,29)15-22(27)23-9-11-30-12-10-23/h5-8,13,16-17H,9-12,14-15H2,1-4H3
InChIKeyWWWGPGOXLYLANE-UHFFFAOYSA-N
MW449.57 g/mol
LogP1.92
Rot. Bonds7

About 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 24891981) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID24891981
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)C(C)C
InChIInChI=1S/C22H31N3O5S/c1-16(2)25(17(3)4)21(26)14-24-13-20(18-7-5-6-8-19(18)24)31(28,29)15-22(27)23-9-11-30-12-10-23/h5-8,13,16-17H,9-12,14-15H2,1-4H3
InChIKeyWWWGPGOXLYLANE-UHFFFAOYSA-N
XLogP1.92
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)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

2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
2-[3-[2-(N-methylanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563713
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834544
2-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563696
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
N-(2,4-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfonylacetamide
CID 16812456
2-[3-[(3-nitrophenyl)methylsulfonyl]indol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16834547
N,N-diethyl-2-[3-[2-(methylamino)-2-oxoethyl]sulfonylindol-1-yl]acetamide
CID 7489774
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 24891981) is 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)N2CCOCC2)c2ccccc21)C(C)C.
What is the InChIKey of 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is WWWGPGOXLYLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-16(2)25(17(3)4)21(26)14-24-13-20(18-7-5-6-8-19(18)24)31(28,29)15-22(27)23-9-11-30-12-10-23/h5-8,13,16-17H,9-12,14-15H2,1-4H3.
What are the key properties of 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 449.57 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-morpholin-4-yl-2-oxoethyl)sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 24891981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).