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

C20H27N3O4S — CID 18563455

IUPACN,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C20H27N3O4S/c1-3-21(4-2)20(25)15-28(26,27)18-13-23(17-10-6-5-9-16(17)18)14-19(24)22-11-7-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3
InChIKeyOVAZBHNCKWCTCM-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.91
Rot. Bonds7

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

N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (PubChem CID 18563455) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
PubChem CID18563455
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C20H27N3O4S/c1-3-21(4-2)20(25)15-28(26,27)18-13-23(17-10-6-5-9-16(17)18)14-19(24)22-11-7-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3
InChIKeyOVAZBHNCKWCTCM-UHFFFAOYSA-N
XLogP1.91
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]ethanone
CID 18563563
2-[3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylindol-1-yl]-1-piperidin-1-ylethanone
CID 18563468
2-[3-[2-(diethylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563706
N-benzyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563448
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetonitrile
CID 18563458
N-(2-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563411
2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-ylethanone
CID 20902782
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-[(4-fluorophenyl)methyl]acetamide
CID 18563610
2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563389
N-(3-methylphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563412

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The IUPAC name of N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (CID 18563455) is N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The canonical SMILES for N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is CCN(CC)C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The InChIKey is OVAZBHNCKWCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-3-21(4-2)20(25)15-28(26,27)18-13-23(17-10-6-5-9-16(17)18)14-19(24)22-11-7-8-12-22/h5-6,9-10,13H,3-4,7-8,11-12,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide has a molecular weight of 405.52 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 18563455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).