methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate

C15H15NO5S — CID 2766429

IUPACmethyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H15NO5S/c1-19-15(18)13-10(4-9-22-13)11-2-3-12(21-11)14(17)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyGUDYHKRHBJXTMQ-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.27
Rot. Bonds3

About methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate (PubChem CID 2766429) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate
PubChem CID2766429
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H15NO5S/c1-19-15(18)13-10(4-9-22-13)11-2-3-12(21-11)14(17)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyGUDYHKRHBJXTMQ-UHFFFAOYSA-N
XLogP2.27
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate (CID 2766429) is methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate?
The InChIKey is GUDYHKRHBJXTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-15(18)13-10(4-9-22-13)11-2-3-12(21-11)14(17)16-5-7-20-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate has a molecular weight of 321.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 2766429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).