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

C11H6Br3NOS — CID 27448

IUPAC4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br3NOS/c12-6-1-3-7(4-2-6)15-11(16)9-5-8(13)10(14)17-9/h1-5H,(H,15,16)
InChIKeyZLWLKVQCHZSSEL-UHFFFAOYSA-N
MW439.95 g/mol
LogP5.29
Rot. Bonds2

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

4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide (PubChem CID 27448) has the molecular formula C11H6Br3NOS and a molecular weight of 439.95 g/mol. Its IUPAC name is 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide
PubChem CID27448
Molecular FormulaC11H6Br3NOS
Molecular Weight439.95 g/mol
Exact Mass436.77
IUPAC Name4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br3NOS/c12-6-1-3-7(4-2-6)15-11(16)9-5-8(13)10(14)17-9/h1-5H,(H,15,16)
InChIKeyZLWLKVQCHZSSEL-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.95
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)thiophene-2-carboxamide
CID 736373
N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
3-[(4-Bromo-2-fluorophenyl)amino]-1-(2-thienyl)-2-propen-1-one
CID 2210642
N-(4-bromophenyl)-5-methylthiophene-3-carboxamide
CID 2970340
N-(2-bromo-4-methylphenyl)-5-ethyl-3-thiophenecarboxamide
CID 841870
N-(2-fluorophenyl)thiophene-2-carboxamide
CID 532897
2-(4-Bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
CID 3648468
N-(4-bromophenyl)-2-(2-thienyl)acetamide
CID 531787
N-phenylthiophene-2-carboxamide
CID 766059
N-(3-bromophenyl)thiophene-2-carboxamide
CID 743465

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide (CID 27448) is 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide?
The InChIKey is ZLWLKVQCHZSSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br3NOS/c12-6-1-3-7(4-2-6)15-11(16)9-5-8(13)10(14)17-9/h1-5H,(H,15,16).
What are the key properties of 4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(4-bromophenyl)thiophene-2-carboxamide has a molecular weight of 439.95 g/mol, XLogP of 5.29, 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-(4-bromophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 27448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).