2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C24H25N5O3S — CID 20916194

IUPAC2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCc1nc2cccnc2n1-c1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-2-22-28-21-4-3-14-27-24(21)29(22)19-9-5-18(6-10-19)16-23(30)26-15-13-17-7-11-20(12-8-17)33(25,31)32/h3-12,14H,2,13,15-16H2,1H3,(H,26,30)(H2,25,31,32)
InChIKeyYLQZTNNJHYPTIJ-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.53
Rot. Bonds8

About 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 20916194) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID20916194
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCc1nc2cccnc2n1-c1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H25N5O3S/c1-2-22-28-21-4-3-14-27-24(21)29(22)19-9-5-18(6-10-19)16-23(30)26-15-13-17-7-11-20(12-8-17)33(25,31)32/h3-12,14H,2,13,15-16H2,1H3,(H,26,30)(H2,25,31,32)
InChIKeyYLQZTNNJHYPTIJ-UHFFFAOYSA-N
XLogP2.53
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propylacetamide
CID 20916146
4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 20916291
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-ethylphenyl)imidazo[4,5-b]pyridine
CID 46389100
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113201848
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
tert-butyl N-[2-[4-[2-(2-cyclopentylethyl)imidazo[4,5-b]pyridin-3-yl]phenyl]ethyl]carbamate
CID 18619647
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
lithium 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetate
CID 58345222
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 20916194) is 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCc1nc2cccnc2n1-c1ccc(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is YLQZTNNJHYPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-2-22-28-21-4-3-14-27-24(21)29(22)19-9-5-18(6-10-19)16-23(30)26-15-13-17-7-11-20(12-8-17)33(25,31)32/h3-12,14H,2,13,15-16H2,1H3,(H,26,30)(H2,25,31,32).
What are the key properties of 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 463.56 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 20916194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).