4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide

C13H7Br2N3OS — CID 47254936

IUPAC4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H7Br2N3OS/c14-8-6-11(20-12(8)15)13(19)18-7-1-2-9-10(5-7)17-4-3-16-9/h1-6H,(H,18,19)
InChIKeyLJFLSJJGLCKVCJ-UHFFFAOYSA-N
MW413.09 g/mol
LogP4.47
Rot. Bonds2

About 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide

4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide (PubChem CID 47254936) has the molecular formula C13H7Br2N3OS and a molecular weight of 413.09 g/mol. Its IUPAC name is 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
PubChem CID47254936
Molecular FormulaC13H7Br2N3OS
Molecular Weight413.09 g/mol
Exact Mass410.87
IUPAC Name4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc2nccnc2c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H7Br2N3OS/c14-8-6-11(20-12(8)15)13(19)18-7-1-2-9-10(5-7)17-4-3-16-9/h1-6H,(H,18,19)
InChIKeyLJFLSJJGLCKVCJ-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.09
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
CID 112739550
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
2-bromo-N-quinoxalin-6-ylpyridine-3-carboxamide
CID 103754637
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
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
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide (CID 47254936) is 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide is O=C(Nc1ccc2nccnc2c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide?
The InChIKey is LJFLSJJGLCKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2N3OS/c14-8-6-11(20-12(8)15)13(19)18-7-1-2-9-10(5-7)17-4-3-16-9/h1-6H,(H,18,19).
What are the key properties of 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide?
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide has a molecular weight of 413.09 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide is sourced from PubChem (CID 47254936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).