(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one

C21H16N2O2S — CID 7393991

IUPAC(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
SMILESO=C1N(Cc2cccs2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O2S/c24-20-21(25,17-12-22-18-9-3-1-7-15(17)18)16-8-2-4-10-19(16)23(20)13-14-6-5-11-26-14/h1-12,22,25H,13H2/t21-/m0/s1
InChIKeyYHZUTLIXYMLXBU-NRFANRHFSA-N
MW360.44 g/mol
LogP4.01
Rot. Bonds3

About (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one

(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one (PubChem CID 7393991) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
PubChem CID7393991
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one
SMILESO=C1N(Cc2cccs2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H16N2O2S/c24-20-21(25,17-12-22-18-9-3-1-7-15(17)18)16-8-2-4-10-19(16)23(20)13-14-6-5-11-26-14/h1-12,22,25H,13H2/t21-/m0/s1
InChIKeyYHZUTLIXYMLXBU-NRFANRHFSA-N
XLogP4.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-bromo-1-[(2-bromophenyl)methyl]-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 41339183
1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-methylindol-2-one
CID 164523817
(3R)-5-bromo-1-ethyl-3-hydroxy-3-(1H-indol-3-yl)indol-2-one
CID 1289741
(3S)-5-chloro-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methylphenyl)methyl]indol-2-one
CID 7275526
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131259
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131251
(3R)-5-bromo-3-hydroxy-3-(1H-indol-3-yl)-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 41145231
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(thiophen-2-ylmethyl)indol-2-one
CID 41118553
1-benzyl-3-(5-bromo-1H-indol-3-yl)-5-chloro-3-hydroxyindol-2-one
CID 118710088
(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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one (CID 7393991) is (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one is O=C1N(Cc2cccs2)c2ccccc2[C@]1(O)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one?
The InChIKey is YHZUTLIXYMLXBU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-20-21(25,17-12-22-18-9-3-1-7-15(17)18)16-8-2-4-10-19(16)23(20)13-14-6-5-11-26-14/h1-12,22,25H,13H2/t21-/m0/s1.
What are the key properties of (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one?
(3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one has a molecular weight of 360.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(1H-indol-3-yl)-1-(thiophen-2-ylmethyl)indol-2-one is sourced from PubChem (CID 7393991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).