[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

C19H17NO5S — CID 51684466

IUPAC[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c1-23-14-8-6-13(7-9-14)17(25-19(22)16-5-3-11-26-16)18(21)20-12-15-4-2-10-24-15/h2-11,17H,12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyJULGFGGKDBRBNN-QGZVFWFLSA-N
MW371.41 g/mol
LogP3.56
Rot. Bonds7

About [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 51684466) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID51684466
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H17NO5S/c1-23-14-8-6-13(7-9-14)17(25-19(22)16-5-3-11-26-16)18(21)20-12-15-4-2-10-24-15/h2-11,17H,12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyJULGFGGKDBRBNN-QGZVFWFLSA-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

Analyze [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220319
[(1S)-1-(4-chlorophenyl)-2-(furan-2-ylmethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 1470232
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3219064
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 43814239
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 654711
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
1-(furan-2-ylmethyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 97185684

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 51684466) is [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is COc1ccc([C@@H](OC(=O)c2cccs2)C(=O)NCc2ccco2)cc1.
What is the InChIKey of [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is JULGFGGKDBRBNN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-23-14-8-6-13(7-9-14)17(25-19(22)16-5-3-11-26-16)18(21)20-12-15-4-2-10-24-15/h2-11,17H,12H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
[(1R)-2-(furan-2-ylmethylamino)-1-(4-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 [(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 51684466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).