N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide

C14H15BrN2OS — CID 79976141

IUPACN-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2N)sc1Br
InChIInChI=1S/C14H15BrN2OS/c1-8-7-12(19-13(8)15)14(18)17-9(2)10-5-3-4-6-11(10)16/h3-7,9H,16H2,1-2H3,(H,17,18)
InChIKeyARGSDJRSUIASPQ-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.89
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide

N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79976141) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79976141
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2N)sc1Br
InChIInChI=1S/C14H15BrN2OS/c1-8-7-12(19-13(8)15)14(18)17-9(2)10-5-3-4-6-11(10)16/h3-7,9H,16H2,1-2H3,(H,17,18)
InChIKeyARGSDJRSUIASPQ-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 79998731
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-methylthiophene-2-carboxamide
CID 79987054
N-(2-aminophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79976427
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide (CID 79976141) is N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2N)sc1Br.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is ARGSDJRSUIASPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-8-7-12(19-13(8)15)14(18)17-9(2)10-5-3-4-6-11(10)16/h3-7,9H,16H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide?
N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).