4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide

C11H4Br5NOS — CID 80536593

IUPAC4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H4Br5NOS/c12-4-1-5(13)9(6(14)2-4)17-11(18)8-3-7(15)10(16)19-8/h1-3H,(H,17,18)
InChIKeyNENKDGRMOPEGFV-UHFFFAOYSA-N
MW597.75 g/mol
LogP6.81
Rot. Bonds2

About 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide

4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide (PubChem CID 80536593) has the molecular formula C11H4Br5NOS and a molecular weight of 597.75 g/mol. Its IUPAC name is 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
PubChem CID80536593
Molecular FormulaC11H4Br5NOS
Molecular Weight597.75 g/mol
Exact Mass592.59
IUPAC Name4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H4Br5NOS/c12-4-1-5(13)9(6(14)2-4)17-11(18)8-3-7(15)10(16)19-8/h1-3H,(H,17,18)
InChIKeyNENKDGRMOPEGFV-UHFFFAOYSA-N
XLogP6.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.75
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
4,5-dibromo-N-(2-chloro-4,6-dimethylphenyl)thiophene-2-carboxamide
CID 19205247
4,5-dibromo-N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 41248376
5-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-methylthiophene-2-carboxamide
CID 79989758
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
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-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide (CID 80536593) is 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide is O=C(Nc1c(Br)cc(Br)cc1Br)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide?
The InChIKey is NENKDGRMOPEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br5NOS/c12-4-1-5(13)9(6(14)2-4)17-11(18)8-3-7(15)10(16)19-8/h1-3H,(H,17,18).
What are the key properties of 4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2,4,6-tribromophenyl)thiophene-2-carboxamide has a molecular weight of 597.75 g/mol, XLogP of 6.81, 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-(2,4,6-tribromophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80536593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).