methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate

C26H24ClNO5 — CID 53371867

IUPACmethyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
SMILESCOC(=O)[C@](OCc1ccccc1)(c1ccc(C)cc1)[C@]1(O)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C26H24ClNO5/c1-17-9-11-19(12-10-17)26(24(30)32-3,33-16-18-7-5-4-6-8-18)25(31)21-15-20(27)13-14-22(21)28(2)23(25)29/h4-15,31H,16H2,1-3H3/t25-,26-/m1/s1
InChIKeyHTIVCTIZJVTLJZ-CLJLJLNGSA-N
MW465.93 g/mol
LogP4.10
Rot. Bonds6

About methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate

methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate (PubChem CID 53371867) has the molecular formula C26H24ClNO5 and a molecular weight of 465.93 g/mol. Its IUPAC name is methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
PubChem CID53371867
Molecular FormulaC26H24ClNO5
Molecular Weight465.93 g/mol
Exact Mass465.13
IUPAC Namemethyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate
SMILESCOC(=O)[C@](OCc1ccccc1)(c1ccc(C)cc1)[C@]1(O)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C26H24ClNO5/c1-17-9-11-19(12-10-17)26(24(30)32-3,33-16-18-7-5-4-6-8-18)25(31)21-15-20(27)13-14-22(21)28(2)23(25)29/h4-15,31H,16H2,1-3H3/t25-,26-/m1/s1
InChIKeyHTIVCTIZJVTLJZ-CLJLJLNGSA-N
XLogP4.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.93
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate with MolForge

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Related Compounds

methyl (2R)-2-(4-chlorophenyl)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-phenylmethoxyacetate
CID 101445846
methyl (2R)-2-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetate
CID 101445842
5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
(3S)-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 7312891
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
2-[[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-(4-methylphenyl)prop-2-enamide
CID 122226615
dimethyl 2-(4-chlorophenyl)-2-hydroxy-3-phenyl-3-phenylmethoxybutanedioate
CID 102391880
methyl (1R,2R,3R,8S)-1'-benzyl-5'-chloro-3-(2-methoxy-2-oxoethyl)-1-(4-methylbenzoyl)-2'-oxospiro[5,6,7,8-tetrahydro-1H-pyrrolizine-2,3'-indole]-3-carboxylate
CID 122376244
1-benzyl-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)ethynyl]indol-2-one
CID 102365931
1-benzyl-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-chloro-3-hydroxyindol-2-one
CID 15999842
tert-butyl N-(5-chloro-3-cyano-1-methyl-2-oxoindol-3-yl)carbamate
CID 102430954
1-benzyl-5-chloro-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4065671

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate?
The IUPAC name of methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate (CID 53371867) is methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate.
What is the SMILES notation for methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate?
The canonical SMILES for methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate is COC(=O)[C@](OCc1ccccc1)(c1ccc(C)cc1)[C@]1(O)C(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate?
The InChIKey is HTIVCTIZJVTLJZ-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H24ClNO5/c1-17-9-11-19(12-10-17)26(24(30)32-3,33-16-18-7-5-4-6-8-18)25(31)21-15-20(27)13-14-22(21)28(2)23(25)29/h4-15,31H,16H2,1-3H3/t25-,26-/m1/s1.
What are the key properties of methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate?
methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate has a molecular weight of 465.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3S)-5-chloro-3-hydroxy-1-methyl-2-oxoindol-3-yl]-2-(4-methylphenyl)-2-phenylmethoxyacetate is sourced from PubChem (CID 53371867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).