4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide

C12H8Br2N2O2S — CID 4843233

IUPAC4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H8Br2N2O2S/c13-8-5-9(19-10(8)14)12(18)16-7-3-1-6(2-4-7)11(15)17/h1-5H,(H2,15,17)(H,16,18)
InChIKeyMZEPVQRYIVPGJD-UHFFFAOYSA-N
MW404.08 g/mol
LogP3.62
Rot. Bonds3

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

4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide (PubChem CID 4843233) has the molecular formula C12H8Br2N2O2S and a molecular weight of 404.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
PubChem CID4843233
Molecular FormulaC12H8Br2N2O2S
Molecular Weight404.08 g/mol
Exact Mass401.87
IUPAC Name4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H8Br2N2O2S/c13-8-5-9(19-10(8)14)12(18)16-7-3-1-6(2-4-7)11(15)17/h1-5H,(H2,15,17)(H,16,18)
InChIKeyMZEPVQRYIVPGJD-UHFFFAOYSA-N
XLogP3.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.08
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
4,5-dibromo-N-(5-carbamoyl-2-chlorophenyl)thiophene-2-carboxamide
CID 78954012
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
2-[4-[(4,5-dibromothiophene-2-carbonyl)amino]phenyl]acetic acid
CID 43092929
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
4,5-dibromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]thiophene-2-carboxamide
CID 71684807

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide (CID 4843233) is 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
The InChIKey is MZEPVQRYIVPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2S/c13-8-5-9(19-10(8)14)12(18)16-7-3-1-6(2-4-7)11(15)17/h1-5H,(H2,15,17)(H,16,18).
What are the key properties of 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide has a molecular weight of 404.08 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4843233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).