N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide

C24H22FN3O5S — CID 59740986

IUPACN-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccnc3c2c(CCO)cn3S(=O)(=O)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C24H22FN3O5S/c1-15-3-6-19(7-4-15)34(31,32)28-14-17(10-12-29)23-22(9-11-26-24(23)28)33-21-8-5-18(13-20(21)25)27-16(2)30/h3-9,11,13-14,29H,10,12H2,1-2H3,(H,27,30)
InChIKeyUUVCREDRZAGQNQ-UHFFFAOYSA-N
MW483.52 g/mol
LogP4.01
Rot. Bonds7

About N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide

N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide (PubChem CID 59740986) has the molecular formula C24H22FN3O5S and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
PubChem CID59740986
Molecular FormulaC24H22FN3O5S
Molecular Weight483.52 g/mol
Exact Mass483.13
IUPAC NameN-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccnc3c2c(CCO)cn3S(=O)(=O)c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C24H22FN3O5S/c1-15-3-6-19(7-4-15)34(31,32)28-14-17(10-12-29)23-22(9-11-26-24(23)28)33-21-8-5-18(13-20(21)25)27-16(2)30/h3-9,11,13-14,29H,10,12H2,1-2H3,(H,27,30)
InChIKeyUUVCREDRZAGQNQ-UHFFFAOYSA-N
XLogP4.01
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3,5-difluoro-4-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)pyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-3-(2-methoxyethyl)urea
CID 137361999
[4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
CID 162469871
N-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 117074121
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
N-[[3-fluoro-4-[[3-(2-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 21081474
tert-butyl N-[(2S)-1-anilino-3-[3-fluoro-4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl]carbamate
CID 135273360
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-[(4-methylphenyl)methylsulfonyl]urea
CID 155539894
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
2-[4-[4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanol
CID 11568564
1-N'-[4-[[5-[3-(dimethylamino)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 157141881
N-[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]acetamide
CID 135145512
2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 171481540

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide (CID 59740986) is N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2ccnc3c2c(CCO)cn3S(=O)(=O)c2ccc(C)cc2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
The InChIKey is UUVCREDRZAGQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O5S/c1-15-3-6-19(7-4-15)34(31,32)28-14-17(10-12-29)23-22(9-11-26-24(23)28)33-21-8-5-18(13-20(21)25)27-16(2)30/h3-9,11,13-14,29H,10,12H2,1-2H3,(H,27,30).
What are the key properties of N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide?
N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide has a molecular weight of 483.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[3-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 59740986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).