4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide

C13H11Br2NOS — CID 54557430

IUPAC4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1C
InChIInChI=1S/C13H11Br2NOS/c1-7-3-4-9(5-8(7)2)16-13(17)11-6-10(14)12(15)18-11/h3-6H,1-2H3,(H,16,17)
InChIKeyZODMMFYTDLCMLN-UHFFFAOYSA-N
MW389.11 g/mol
LogP5.14
Rot. Bonds2

About 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 54557430) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
PubChem CID54557430
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1C
InChIInChI=1S/C13H11Br2NOS/c1-7-3-4-9(5-8(7)2)16-13(17)11-6-10(14)12(15)18-11/h3-6H,1-2H3,(H,16,17)
InChIKeyZODMMFYTDLCMLN-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.11
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
4,5-dibromo-N-(6-bromo-5-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 114050470
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
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(4-carbamoylphenyl)thiophene-2-carboxamide
CID 4843233
4,5-dibromo-N-(3-fluoro-5-methylphenyl)thiophene-2-carboxamide
CID 80536601
4,5-dibromo-N-quinoxalin-6-ylthiophene-2-carboxamide
CID 47254936
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide (CID 54557430) is 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1C.
What is the InChIKey of 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is ZODMMFYTDLCMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-7-3-4-9(5-8(7)2)16-13(17)11-6-10(14)12(15)18-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 54557430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).