2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide

C12H7Br4NOS — CID 114021285

IUPAC2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Br)sc2Br)c(Br)c1
InChIInChI=1S/C12H7Br4NOS/c1-5-2-7(13)10(8(14)3-5)17-12(18)6-4-9(15)19-11(6)16/h2-4H,1H3,(H,17,18)
InChIKeyRHNLCLZYQCEWGQ-UHFFFAOYSA-N
MW532.88 g/mol
LogP6.36
Rot. Bonds2

About 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide

2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide (PubChem CID 114021285) has the molecular formula C12H7Br4NOS and a molecular weight of 532.88 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
PubChem CID114021285
Molecular FormulaC12H7Br4NOS
Molecular Weight532.88 g/mol
Exact Mass528.70
IUPAC Name2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Br)sc2Br)c(Br)c1
InChIInChI=1S/C12H7Br4NOS/c1-5-2-7(13)10(8(14)3-5)17-12(18)6-4-9(15)19-11(6)16/h2-4H,1H3,(H,17,18)
InChIKeyRHNLCLZYQCEWGQ-UHFFFAOYSA-N
XLogP6.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
2,5-dibromo-N-(2-hydroxy-4-methylphenyl)thiophene-3-carboxamide
CID 103674569
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
2,5-dibromo-N-(2-methoxy-5-methylphenyl)thiophene-3-carboxamide
CID 113237216
2,5-dibromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-3-carboxamide
CID 107962287
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide (CID 114021285) is 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide is Cc1cc(Br)c(NC(=O)c2cc(Br)sc2Br)c(Br)c1.
What is the InChIKey of 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide?
The InChIKey is RHNLCLZYQCEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br4NOS/c1-5-2-7(13)10(8(14)3-5)17-12(18)6-4-9(15)19-11(6)16/h2-4H,1H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide?
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide has a molecular weight of 532.88 g/mol, XLogP of 6.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 114021285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).