5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide

C15H16BrNOS — CID 79998731

IUPAC5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-9-6-4-5-7-12(9)11(3)17-15(18)13-8-10(2)14(16)19-13/h4-8,11H,1-3H3,(H,17,18)
InChIKeyGOQFRMVBNCAFIP-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide

5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 79998731) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID79998731
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C15H16BrNOS/c1-9-6-4-5-7-12(9)11(3)17-15(18)13-8-10(2)14(16)19-13/h4-8,11H,1-3H3,(H,17,18)
InChIKeyGOQFRMVBNCAFIP-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79976141
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
5-amino-2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 115297476
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-carboxamide
CID 83178239
5-bromo-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 79926896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide (CID 79998731) is 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is GOQFRMVBNCAFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-9-6-4-5-7-12(9)11(3)17-15(18)13-8-10(2)14(16)19-13/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 338.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 79998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).