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

C11H8BrNO4S — CID 2167035

IUPACmethyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4S/c1-16-11(15)9-6(4-5-18-9)13-10(14)7-2-3-8(12)17-7/h2-5H,1H3,(H,13,14)
InChIKeyAAVMFXCTHZZIFE-UHFFFAOYSA-N
MW330.16 g/mol
LogP3.14
Rot. Bonds3

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

methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 2167035) has the molecular formula C11H8BrNO4S and a molecular weight of 330.16 g/mol. Its IUPAC name is methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID2167035
Molecular FormulaC11H8BrNO4S
Molecular Weight330.16 g/mol
Exact Mass328.94
IUPAC Namemethyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H8BrNO4S/c1-16-11(15)9-6(4-5-18-9)13-10(14)7-2-3-8(12)17-7/h2-5H,1H3,(H,13,14)
InChIKeyAAVMFXCTHZZIFE-UHFFFAOYSA-N
XLogP3.14
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(thiophene-2-carbonylamino)phenyl]furan-2-carboxamide
CID 1280173
Methyl 3-[(5-methyl-2-furoyl)amino]-2-thiophenecarboxylate
CID 898058
Methyl 2-[(5-bromo-2-furoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1272590
Ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 2361992
Methyl 3-(2-furoylamino)-2-thiophenecarboxylate
CID 897017
Methyl 2-[(5-bromo-2-furoyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
CID 1011410
Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 1012529
5-bromo-N-{4-[(2-thienylcarbonyl)amino]phenyl}-2-furamide
CID 1349211
Methyl 3-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
CID 17470223
Isopropyl 2-[(5-bromo-2-furoyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
CID 1008628
Methyl 3-(furan-2-carbonylamino)-5-thiophen-2-ylthiophene-2-carboxylate
CID 2809101
3-[[5-(Difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 43171711

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate (CID 2167035) is methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is AAVMFXCTHZZIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S/c1-16-11(15)9-6(4-5-18-9)13-10(14)7-2-3-8(12)17-7/h2-5H,1H3,(H,13,14).
What are the key properties of methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 330.16 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2167035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).