N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide

C13H12BrNO2S — CID 61074376

IUPACN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H12BrNO2S/c1-8-3-6-12(18-8)13(16)15-10-7-9(14)4-5-11(10)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyTXXDBPYBDJNBOJ-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.08
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 61074376) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID61074376
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(C)s1
InChIInChI=1S/C13H12BrNO2S/c1-8-3-6-12(18-8)13(16)15-10-7-9(14)4-5-11(10)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyTXXDBPYBDJNBOJ-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
N-(2-methoxy-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 51160514
N-(2-amino-4,5-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 43549139
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(4-amino-2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 18072015
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-methoxyphenyl)-2-oxoacetamide
CID 12532225
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
5-bromo-N-[2-(5-bromo-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55905137
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 47310946

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 61074376) is N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide is COc1ccc(Br)cc1NC(=O)c1ccc(C)s1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is TXXDBPYBDJNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c1-8-3-6-12(18-8)13(16)15-10-7-9(14)4-5-11(10)17-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61074376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).