methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

C15H10BrNO4S — CID 38928922

IUPACmethyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H10BrNO4S/c1-20-15(19)13-10(5-6-22-13)17-14(18)11-7-8-3-2-4-9(16)12(8)21-11/h2-7H,1H3,(H,17,18)
InChIKeyZSUHLXYUFNCZAM-UHFFFAOYSA-N
MW380.22 g/mol
LogP4.30
Rot. Bonds3

About methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 38928922) has the molecular formula C15H10BrNO4S and a molecular weight of 380.22 g/mol. Its IUPAC name is methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID38928922
Molecular FormulaC15H10BrNO4S
Molecular Weight380.22 g/mol
Exact Mass378.95
IUPAC Namemethyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H10BrNO4S/c1-20-15(19)13-10(5-6-22-13)17-14(18)11-7-8-3-2-4-9(16)12(8)21-11/h2-7H,1H3,(H,17,18)
InChIKeyZSUHLXYUFNCZAM-UHFFFAOYSA-N
XLogP4.30
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-fluorobenzoate
CID 38939880
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
7-bromo-N-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 39710609
methyl 2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 46450917
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845
7-bromo-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-benzofuran-2-carboxamide
CID 83101934
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 38899371

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate (CID 38928922) is methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is ZSUHLXYUFNCZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4S/c1-20-15(19)13-10(5-6-22-13)17-14(18)11-7-8-3-2-4-9(16)12(8)21-11/h2-7H,1H3,(H,17,18).
What are the key properties of methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 380.22 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 38928922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).