ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

C15H16BrNO4S — CID 1012529

IUPACethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC
InChIInChI=1S/C15H16BrNO4S/c1-4-9-8(3)22-14(12(9)15(19)20-5-2)17-13(18)10-6-7-11(16)21-10/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyLHEPIWXZPHSQBP-UHFFFAOYSA-N
MW386.27 g/mol
LogP4.40
Rot. Bonds5

About ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 1012529) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID1012529
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Nameethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC
InChIInChI=1S/C15H16BrNO4S/c1-4-9-8(3)22-14(12(9)15(19)20-5-2)17-13(18)10-6-7-11(16)21-10/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyLHEPIWXZPHSQBP-UHFFFAOYSA-N
XLogP4.40
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 1012529) is ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC.
What is the InChIKey of ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is LHEPIWXZPHSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-4-9-8(3)22-14(12(9)15(19)20-5-2)17-13(18)10-6-7-11(16)21-10/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 386.27 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 1012529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).