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

C15H15NO5S — CID 155524145

IUPACmethyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1-c1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H15NO5S/c1-19-15(18)11-9-22-8-10(11)12-2-3-13(21-12)14(17)16-4-6-20-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyABPLYGSLQBCCGB-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.27
Rot. Bonds3

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

methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate (PubChem CID 155524145) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate
PubChem CID155524145
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namemethyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1cscc1-c1ccc(C(=O)N2CCOCC2)o1
InChIInChI=1S/C15H15NO5S/c1-19-15(18)11-9-22-8-10(11)12-2-3-13(21-12)14(17)16-4-6-20-7-5-16/h2-3,8-9H,4-7H2,1H3
InChIKeyABPLYGSLQBCCGB-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 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate?
The IUPAC name of methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate (CID 155524145) is methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate?
The canonical SMILES for methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate is COC(=O)c1cscc1-c1ccc(C(=O)N2CCOCC2)o1.
What is the InChIKey of methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate?
The InChIKey is ABPLYGSLQBCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-15(18)11-9-22-8-10(11)12-2-3-13(21-12)14(17)16-4-6-20-7-5-16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate?
methyl 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-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 4-[5-(morpholine-4-carbonyl)furan-2-yl]thiophene-3-carboxylate is sourced from PubChem (CID 155524145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).