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

C14H14BrNO4S — CID 1011410

IUPACmethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC
InChIInChI=1S/C14H14BrNO4S/c1-4-8-7(2)21-13(11(8)14(18)19-3)16-12(17)9-5-6-10(15)20-9/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPFOPJSHDMUTJTQ-UHFFFAOYSA-N
MW372.24 g/mol
LogP4.01
Rot. Bonds4

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

methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 1011410) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID1011410
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC Namemethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC
InChIInChI=1S/C14H14BrNO4S/c1-4-8-7(2)21-13(11(8)14(18)19-3)16-12(17)9-5-6-10(15)20-9/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyPFOPJSHDMUTJTQ-UHFFFAOYSA-N
XLogP4.01
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 1011410) is methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC.
What is the InChIKey of methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is PFOPJSHDMUTJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c1-4-8-7(2)21-13(11(8)14(18)19-3)16-12(17)9-5-6-10(15)20-9/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 372.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 1011410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).