ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

C26H26N4O6S — CID 5111231

IUPACethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2cccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nc2cccc(C)n12
InChIInChI=1S/C26H26N4O6S/c1-4-35-24(32)16-27-26-25(29-23-10-5-7-17(2)30(23)26)19-8-6-9-21(15-19)36-37(33,34)22-13-11-20(12-14-22)28-18(3)31/h5-15,27H,4,16H2,1-3H3,(H,28,31)
InChIKeyUAVSAMHJRXVWFM-UHFFFAOYSA-N
MW522.58 g/mol
LogP4.01
Rot. Bonds9

About ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 5111231) has the molecular formula C26H26N4O6S and a molecular weight of 522.58 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID5111231
Molecular FormulaC26H26N4O6S
Molecular Weight522.58 g/mol
Exact Mass522.16
IUPAC Nameethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2cccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nc2cccc(C)n12
InChIInChI=1S/C26H26N4O6S/c1-4-35-24(32)16-27-26-25(29-23-10-5-7-17(2)30(23)26)19-8-6-9-21(15-19)36-37(33,34)22-13-11-20(12-14-22)28-18(3)31/h5-15,27H,4,16H2,1-3H3,(H,28,31)
InChIKeyUAVSAMHJRXVWFM-UHFFFAOYSA-N
XLogP4.01
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.58
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738246
ethyl 2-[[6-chloro-2-[3-(2,4-dinitrophenyl)sulfonyloxyphenyl]imidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3948671
ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-6-chloroimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 3416173
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
CID 42742883
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 42915856
[3-[[[(2R)-butan-2-yl]-(2-methylpropanoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 93142958
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chlorobenzenesulfonate
CID 3536356
ethyl 2-[(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 808590
ethyl 4-acetamidobenzenesulfonate
CID 91726392
ethyl 2-[[2-(2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738298
[3-[[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 93301770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 5111231) is ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2cccc(OS(=O)(=O)c3ccc(NC(C)=O)cc3)c2)nc2cccc(C)n12.
What is the InChIKey of ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is UAVSAMHJRXVWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6S/c1-4-35-24(32)16-27-26-25(29-23-10-5-7-17(2)30(23)26)19-8-6-9-21(15-19)36-37(33,34)22-13-11-20(12-14-22)28-18(3)31/h5-15,27H,4,16H2,1-3H3,(H,28,31).
What are the key properties of ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 522.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 5111231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).