2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide

C24H23N3O5S — CID 135278916

IUPAC2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(Oc2ccc(CC(N)=O)cc2)c(-c2cc(C)n(O)c3nccc2-3)c1
InChIInChI=1S/C24H23N3O5S/c1-3-33(30,31)18-8-9-22(32-17-6-4-16(5-7-17)13-23(25)28)21(14-18)20-12-15(2)27(29)24-19(20)10-11-26-24/h4-12,14,29H,3,13H2,1-2H3,(H2,25,28)
InChIKeyZNEQWGBNRNLRLZ-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.81
Rot. Bonds7

About 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide

2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide (PubChem CID 135278916) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide
PubChem CID135278916
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(Oc2ccc(CC(N)=O)cc2)c(-c2cc(C)n(O)c3nccc2-3)c1
InChIInChI=1S/C24H23N3O5S/c1-3-33(30,31)18-8-9-22(32-17-6-4-16(5-7-17)13-23(25)28)21(14-18)20-12-15(2)27(29)24-19(20)10-11-26-24/h4-12,14,29H,3,13H2,1-2H3,(H2,25,28)
InChIKeyZNEQWGBNRNLRLZ-UHFFFAOYSA-N
XLogP3.81
TPSA124.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]methyl]carbamate
CID 135279136
4-[5-ethylsulfonyl-2-[(1-methylcyclopropyl)methoxy]phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 135279052
4-[2-(4,4-difluorocyclohexyl)oxy-5-ethylsulfonylphenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 135278758
4-[5-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyl)-2-[3-(trifluoromethyl)phenoxy]phenyl]-7-hydroxy-6-methylpyrrolo[2,3-b]pyridine
CID 146714086
2-[4-(methylsulfamoyl)phenyl]acetamide
CID 118211828
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]acetamide
CID 154513801
1-[4-[(4,6-dimethylpyrimidin-2-yl)methylsulfonyl]phenyl]-3-(4-methoxyphenyl)propan-2-one
CID 161249289
2-[4-(6,7-dimethylquinolin-4-yl)oxyphenyl]acetic acid
CID 71122818
2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
CID 118858046
amino 5-ethylsulfonyl-2-methoxybenzoate
CID 138682570

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide?
The IUPAC name of 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide (CID 135278916) is 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide.
What is the SMILES notation for 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide?
The canonical SMILES for 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide is CCS(=O)(=O)c1ccc(Oc2ccc(CC(N)=O)cc2)c(-c2cc(C)n(O)c3nccc2-3)c1.
What is the InChIKey of 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide?
The InChIKey is ZNEQWGBNRNLRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-3-33(30,31)18-8-9-22(32-17-6-4-16(5-7-17)13-23(25)28)21(14-18)20-12-15(2)27(29)24-19(20)10-11-26-24/h4-12,14,29H,3,13H2,1-2H3,(H2,25,28).
What are the key properties of 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide?
2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide has a molecular weight of 465.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethylsulfonyl-2-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenoxy]phenyl]acetamide is sourced from PubChem (CID 135278916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).