methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

C14H15NO4S — CID 1246443

IUPACmethyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C14H15NO4S/c1-4-9-7-11(14(17)18-3)13(20-9)15-12(16)10-5-6-19-8(10)2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyWAESDHTZLXTTQO-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.25
Rot. Bonds4

About methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate

methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 1246443) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID1246443
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Namemethyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCc1cc(C(=O)OC)c(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C14H15NO4S/c1-4-9-7-11(14(17)18-3)13(20-9)15-12(16)10-5-6-19-8(10)2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyWAESDHTZLXTTQO-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate (CID 1246443) is methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is CCc1cc(C(=O)OC)c(NC(=O)c2ccoc2C)s1.
What is the InChIKey of methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is WAESDHTZLXTTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-4-9-7-11(14(17)18-3)13(20-9)15-12(16)10-5-6-19-8(10)2/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 1246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).