ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate

C19H17NO6S2 — CID 2096414

IUPACethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C19H17NO6S2/c1-3-24-19(23)16-12(13-7-6-11(2)26-13)10-28-17(16)20-15(21)9-25-18(22)14-5-4-8-27-14/h4-8,10H,3,9H2,1-2H3,(H,20,21)
InChIKeyIYCVBWNUEBLGCY-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.35
Rot. Bonds7

About ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate

ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate (PubChem CID 2096414) has the molecular formula C19H17NO6S2 and a molecular weight of 419.48 g/mol. Its IUPAC name is ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
PubChem CID2096414
Molecular FormulaC19H17NO6S2
Molecular Weight419.48 g/mol
Exact Mass419.05
IUPAC Nameethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1cccs1
InChIInChI=1S/C19H17NO6S2/c1-3-24-19(23)16-12(13-7-6-11(2)26-13)10-28-17(16)20-15(21)9-25-18(22)14-5-4-8-27-14/h4-8,10H,3,9H2,1-2H3,(H,20,21)
InChIKeyIYCVBWNUEBLGCY-UHFFFAOYSA-N
XLogP4.35
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate (CID 2096414) is ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)c1cccs1.
What is the InChIKey of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is IYCVBWNUEBLGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S2/c1-3-24-19(23)16-12(13-7-6-11(2)26-13)10-28-17(16)20-15(21)9-25-18(22)14-5-4-8-27-14/h4-8,10H,3,9H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate?
ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylfuran-2-yl)-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2096414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).