N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide

C22H29N3O5S — CID 18563513

IUPACN-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NCC1CCCO1
InChIInChI=1S/C22H29N3O5S/c26-21(23-13-17-7-6-12-30-17)16-31(28,29)20-14-25(19-9-3-2-8-18(19)20)15-22(27)24-10-4-1-5-11-24/h2-3,8-9,14,17H,1,4-7,10-13,15-16H2,(H,23,26)
InChIKeyGUWCVYFXJZOAMG-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.72
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide

N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide (PubChem CID 18563513) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
PubChem CID18563513
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NCC1CCCO1
InChIInChI=1S/C22H29N3O5S/c26-21(23-13-17-7-6-12-30-17)16-31(28,29)20-14-25(19-9-3-2-8-18(19)20)15-22(27)24-10-4-1-5-11-24/h2-3,8-9,14,17H,1,4-7,10-13,15-16H2,(H,23,26)
InChIKeyGUWCVYFXJZOAMG-UHFFFAOYSA-N
XLogP1.72
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide 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-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
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-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide (CID 18563513) is N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide is O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The InChIKey is GUWCVYFXJZOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c26-21(23-13-17-7-6-12-30-17)16-31(28,29)20-14-25(19-9-3-2-8-18(19)20)15-22(27)24-10-4-1-5-11-24/h2-3,8-9,14,17H,1,4-7,10-13,15-16H2,(H,23,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide has a molecular weight of 447.56 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 18563513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).