[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C22H19N3O6S — CID 27560909

IUPAC[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C22H19N3O6S/c1-3-29-22(28)19-14(16-5-4-8-30-16)12-32-20(19)24-18(26)11-31-21(27)15-10-25-7-6-13(2)9-17(25)23-15/h4-10,12H,3,11H2,1-2H3,(H,24,26)
InChIKeyHMFZLQFUIVYFSG-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.94
Rot. Bonds7

About [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 27560909) has the molecular formula C22H19N3O6S and a molecular weight of 453.48 g/mol. Its IUPAC name is [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID27560909
Molecular FormulaC22H19N3O6S
Molecular Weight453.48 g/mol
Exact Mass453.10
IUPAC Name[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cn2ccc(C)cc2n1
InChIInChI=1S/C22H19N3O6S/c1-3-29-22(28)19-14(16-5-4-8-30-16)12-32-20(19)24-18(26)11-31-21(27)15-10-25-7-6-13(2)9-17(25)23-15/h4-10,12H,3,11H2,1-2H3,(H,24,26)
InChIKeyHMFZLQFUIVYFSG-UHFFFAOYSA-N
XLogP3.94
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605169
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2468808
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 4-(furan-2-yl)-2-[[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 16958710
3-O-[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate
CID 16796644
ethyl 4-(furan-2-yl)-2-[[2-[3-(methylsulfonylmethyl)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 27749385
ethyl 4-(furan-2-yl)-2-[[2-[3-(methanesulfonamido)benzoyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 16543176
ethyl 2-[[2-(3-fluorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7834644
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221
ethyl 4-(furan-2-yl)-2-[[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
CID 7499713
ethyl 2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 7949098

Frequently Asked Questions

What is the IUPAC name of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 27560909) is [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cn2ccc(C)cc2n1.
What is the InChIKey of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is HMFZLQFUIVYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S/c1-3-29-22(28)19-14(16-5-4-8-30-16)12-32-20(19)24-18(26)11-31-21(27)15-10-25-7-6-13(2)9-17(25)23-15/h4-10,12H,3,11H2,1-2H3,(H,24,26).
What are the key properties of [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 453.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 27560909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).