5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide

C14H14BrNOS — CID 43424527

IUPAC5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrNOS/c1-8-4-9(2)13(10(3)5-8)16-14(17)11-6-12(15)18-7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyMOJUHHLKOJZETA-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.69
Rot. Bonds2

About 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide

5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide (PubChem CID 43424527) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
PubChem CID43424527
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C14H14BrNOS/c1-8-4-9(2)13(10(3)5-8)16-14(17)11-6-12(15)18-7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyMOJUHHLKOJZETA-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbenzoic acid
CID 43358342
5-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 60735708
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
5-bromo-N-(2-fluoro-4-methylphenyl)thiophene-3-carboxamide
CID 43424569
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548
5-bromo-N-(4-fluoro-3-methylphenyl)thiophene-3-carboxamide
CID 62812532
3,5-difluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 4815673
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-5-methylbenzoate
CID 43623715

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide (CID 43424527) is 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide is Cc1cc(C)c(NC(=O)c2csc(Br)c2)c(C)c1.
What is the InChIKey of 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide?
The InChIKey is MOJUHHLKOJZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-8-4-9(2)13(10(3)5-8)16-14(17)11-6-12(15)18-7-11/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide?
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 43424527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).