N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide

C19H20N4O4S — CID 166614526

IUPACN-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C19H20N4O4S/c1-28(26,27)21-12-16(24)23-10-8-19(17(23)13-5-4-9-20-11-13)14-6-2-3-7-15(14)22-18(19)25/h2-7,9,11,17,21H,8,10,12H2,1H3,(H,22,25)
InChIKeyZHDWWSRTOZNJFK-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.79
Rot. Bonds4

About N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide

N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide (PubChem CID 166614526) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
PubChem CID166614526
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C19H20N4O4S/c1-28(26,27)21-12-16(24)23-10-8-19(17(23)13-5-4-9-20-11-13)14-6-2-3-7-15(14)22-18(19)25/h2-7,9,11,17,21H,8,10,12H2,1H3,(H,22,25)
InChIKeyZHDWWSRTOZNJFK-UHFFFAOYSA-N
XLogP0.79
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616556
1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
CID 166614212
1'-[3-(3-methylpyrazol-1-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614030
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(1-ethylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614423
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide (CID 166614526) is N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.
What is the InChIKey of N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide?
The InChIKey is ZHDWWSRTOZNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-28(26,27)21-12-16(24)23-10-8-19(17(23)13-5-4-9-20-11-13)14-6-2-3-7-15(14)22-18(19)25/h2-7,9,11,17,21H,8,10,12H2,1H3,(H,22,25).
What are the key properties of N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide?
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 166614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).