[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

C19H17NO5S — CID 646791

IUPAC[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1C(OC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C19H17NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-11,17H,12H2,1H3,(H,20,21)
InChIKeyLXBLCJZINAPNGB-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.56
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 646791) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID646791
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccccc1C(OC(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C19H17NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-11,17H,12H2,1H3,(H,20,21)
InChIKeyLXBLCJZINAPNGB-UHFFFAOYSA-N
XLogP3.56
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 646791) is [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is COc1ccccc1C(OC(=O)c1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is LXBLCJZINAPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-23-15-8-3-2-7-14(15)17(25-19(22)16-9-5-11-26-16)18(21)20-12-13-6-4-10-24-13/h2-11,17H,12H2,1H3,(H,20,21).
What are the key properties of [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-1-(2-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 646791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).