N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide

C23H25N3O4S — CID 18563448

IUPACN-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H25N3O4S/c27-22(24-14-18-8-2-1-3-9-18)17-31(29,30)21-15-26(20-11-5-4-10-19(20)21)16-23(28)25-12-6-7-13-25/h1-5,8-11,15H,6-7,12-14,16-17H2,(H,24,27)
InChIKeyQGRUISHIIJEGOF-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.35
Rot. Bonds7

About N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide

N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (PubChem CID 18563448) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
PubChem CID18563448
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)NCc1ccccc1
InChIInChI=1S/C23H25N3O4S/c27-22(24-14-18-8-2-1-3-9-18)17-31(29,30)21-15-26(20-11-5-4-10-19(20)21)16-23(28)25-12-6-7-13-25/h1-5,8-11,15H,6-7,12-14,16-17H2,(H,24,27)
InChIKeyQGRUISHIIJEGOF-UHFFFAOYSA-N
XLogP2.35
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
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
N-[(4-methylphenyl)methyl]-2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]sulfonylacetamide
CID 18563678
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
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563455
N-(4-methoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563430
N-(3-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563412
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-(3-fluorophenyl)acetamide
CID 18563580

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The IUPAC name of N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (CID 18563448) is N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The InChIKey is QGRUISHIIJEGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c27-22(24-14-18-8-2-1-3-9-18)17-31(29,30)21-15-26(20-11-5-4-10-19(20)21)16-23(28)25-12-6-7-13-25/h1-5,8-11,15H,6-7,12-14,16-17H2,(H,24,27).
What are the key properties of N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide has a molecular weight of 439.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 18563448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).