3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one

C20H16N2O3S — CID 17131259

IUPAC3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H16N2O3S/c23-18(16-8-3-4-10-21-16)12-20(25)15-7-1-2-9-17(15)22(19(20)24)13-14-6-5-11-26-14/h1-11,25H,12-13H2
InChIKeyFLSCFGLYEQRVMP-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.15
Rot. Bonds5

About 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one

3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one (PubChem CID 17131259) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
PubChem CID17131259
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccccn1
InChIInChI=1S/C20H16N2O3S/c23-18(16-8-3-4-10-21-16)12-20(25)15-7-1-2-9-17(15)22(19(20)24)13-14-6-5-11-26-14/h1-11,25H,12-13H2
InChIKeyFLSCFGLYEQRVMP-UHFFFAOYSA-N
XLogP3.15
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131251
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7270818
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118553
(3R)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 7282038
(3R)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118403
(3S)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118404
(3S)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(3-phenylpropyl)indol-2-one
CID 7281333
ethyl 2-[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]acetate
CID 2927588
(3S)-5-chloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118424
1'-benzyl-2-[3-[[3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-2-ylethyl)indol-1-yl]methyl]phenyl]-6-pyridin-2-ylspiro[1,3-dioxane-4,3'-indole]-2'-one
CID 123968525
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 7393991
5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-propylindol-2-one
CID 4637449

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one (CID 17131259) is 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2cccs2)c2ccccc21)c1ccccn1.
What is the InChIKey of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one?
The InChIKey is FLSCFGLYEQRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-18(16-8-3-4-10-21-16)12-20(25)15-7-1-2-9-17(15)22(19(20)24)13-14-6-5-11-26-14/h1-11,25H,12-13H2.
What are the key properties of 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one?
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one has a molecular weight of 364.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one is sourced from PubChem (CID 17131259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).