ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate

C18H22N2O5S — CID 1276757

IUPACethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H22N2O5S/c1-3-24-18(22)16-13(14-5-4-12(2)25-14)11-26-17(16)19-15(21)10-20-6-8-23-9-7-20/h4-5,11H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyGIKHIJAMYRIXKY-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.76
Rot. Bonds6

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

ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (PubChem CID 1276757) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
PubChem CID1276757
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Nameethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H22N2O5S/c1-3-24-18(22)16-13(14-5-4-12(2)25-14)11-26-17(16)19-15(21)10-20-6-8-23-9-7-20/h4-5,11H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyGIKHIJAMYRIXKY-UHFFFAOYSA-N
XLogP2.76
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate (CID 1276757) is ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCOCC1.
What is the InChIKey of ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
The InChIKey is GIKHIJAMYRIXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-24-18(22)16-13(14-5-4-12(2)25-14)11-26-17(16)19-15(21)10-20-6-8-23-9-7-20/h4-5,11H,3,6-10H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate?
ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methylfuran-2-yl)-2-[(2-morpholin-4-ylacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1276757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).