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

C13H12BrNO4S — CID 2361992

IUPACethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C13H12BrNO4S/c1-3-18-13(17)11-7(2)6-10(20-11)15-12(16)8-4-5-9(14)19-8/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyWUIKFGUMMDPDEU-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.84
Rot. Bonds4

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

ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 2361992) has the molecular formula C13H12BrNO4S and a molecular weight of 358.21 g/mol. Its IUPAC name is ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID2361992
Molecular FormulaC13H12BrNO4S
Molecular Weight358.21 g/mol
Exact Mass356.97
IUPAC Nameethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C13H12BrNO4S/c1-3-18-13(17)11-7(2)6-10(20-11)15-12(16)8-4-5-9(14)19-8/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyWUIKFGUMMDPDEU-UHFFFAOYSA-N
XLogP3.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 673534
Cbr-5884
CID 4674993
N-(4,5-dimethylthiophen-2-yl)furan-2-carboxamide
CID 699928
N-(4-phenylthiophen-2-yl)furan-2-carboxamide
CID 699965
Methyl 2-(2-furylcarbonylamino)-5-methylthiophene-3-carboxylate
CID 1246438
Methyl 4-cyano-5-(2-furoylamino)-3-methyl-2-thiophenecarboxylate
CID 3150558
Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699
Methyl 2-[(5-bromo-2-furoyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
CID 1294670
Methyl 3-[(5-bromofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 2167035
Methyl 2-(furan-2-carboxamido)thiophene-3-carboxylate
CID 2808579
5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
CID 658862

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate (CID 2361992) is ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is WUIKFGUMMDPDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO4S/c1-3-18-13(17)11-7(2)6-10(20-11)15-12(16)8-4-5-9(14)19-8/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 358.21 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2361992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).