imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C23H21N3O5S — CID 55317319

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C23H21N3O5S/c1-25(19-9-11-20(30-2)12-10-19)32(28,29)21-7-5-6-17(14-21)23(27)31-16-18-15-26-13-4-3-8-22(26)24-18/h3-15H,16H2,1-2H3
InChIKeyMJPOTVBQSWLGBB-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.53
Rot. Bonds7

About imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 55317319) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID55317319
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cn4ccccc4n3)c2)cc1
InChIInChI=1S/C23H21N3O5S/c1-25(19-9-11-20(30-2)12-10-19)32(28,29)21-7-5-6-17(14-21)23(27)31-16-18-15-26-13-4-3-8-22(26)24-18/h3-15H,16H2,1-2H3
InChIKeyMJPOTVBQSWLGBB-UHFFFAOYSA-N
XLogP3.53
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
(6-chloro-3-pyridinyl)methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 31048298
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577675
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2586329
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 55317319) is imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OCc3cn4ccccc4n3)c2)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is MJPOTVBQSWLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-25(19-9-11-20(30-2)12-10-19)32(28,29)21-7-5-6-17(14-21)23(27)31-16-18-15-26-13-4-3-8-22(26)24-18/h3-15H,16H2,1-2H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 451.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 55317319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).