4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide

C11H8Br2N2O2S — CID 112739550

IUPAC4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)c(Br)s2)ccn1
InChIInChI=1S/C11H8Br2N2O2S/c1-17-9-4-6(2-3-14-9)15-11(16)8-5-7(12)10(13)18-8/h2-5H,1H3,(H,14,15,16)
InChIKeyLWSZYCIGSDPHHY-UHFFFAOYSA-N
MW392.07 g/mol
LogP3.93
Rot. Bonds3

About 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 112739550) has the molecular formula C11H8Br2N2O2S and a molecular weight of 392.07 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
PubChem CID112739550
Molecular FormulaC11H8Br2N2O2S
Molecular Weight392.07 g/mol
Exact Mass389.87
IUPAC Name4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)c(Br)s2)ccn1
InChIInChI=1S/C11H8Br2N2O2S/c1-17-9-4-6(2-3-14-9)15-11(16)8-5-7(12)10(13)18-8/h2-5H,1H3,(H,14,15,16)
InChIKeyLWSZYCIGSDPHHY-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.07
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 114050470
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide (CID 112739550) is 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide is COc1cc(NC(=O)c2cc(Br)c(Br)s2)ccn1.
What is the InChIKey of 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is LWSZYCIGSDPHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2O2S/c1-17-9-4-6(2-3-14-9)15-11(16)8-5-7(12)10(13)18-8/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 392.07 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 112739550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).