[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate

C18H15NO5S — CID 9453700

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1occc1-c1cccs1
InChIInChI=1S/C18H15NO5S/c1-22-14-6-3-2-5-13(14)19-16(20)11-24-18(21)17-12(8-9-23-17)15-7-4-10-25-15/h2-10H,11H2,1H3,(H,19,20)
InChIKeyTXOIZNDHFPPFCK-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.81
Rot. Bonds6

About [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate (PubChem CID 9453700) has the molecular formula C18H15NO5S and a molecular weight of 357.39 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate
PubChem CID9453700
Molecular FormulaC18H15NO5S
Molecular Weight357.39 g/mol
Exact Mass357.07
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1occc1-c1cccs1
InChIInChI=1S/C18H15NO5S/c1-22-14-6-3-2-5-13(14)19-16(20)11-24-18(21)17-12(8-9-23-17)15-7-4-10-25-15/h2-10H,11H2,1H3,(H,19,20)
InChIKeyTXOIZNDHFPPFCK-UHFFFAOYSA-N
XLogP3.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2589480
N-(2-methoxyphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470056
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592
[2-(2-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626277

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate (CID 9453700) is [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1occc1-c1cccs1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate?
The InChIKey is TXOIZNDHFPPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5S/c1-22-14-6-3-2-5-13(14)19-16(20)11-24-18(21)17-12(8-9-23-17)15-7-4-10-25-15/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 3-thiophen-2-ylfuran-2-carboxylate is sourced from PubChem (CID 9453700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).