N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide

C14H14BrNOS — CID 113275866

IUPACN-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C14H14BrNOS/c1-9-7-18-8-12(9)14(17)16-13-6-4-3-5-11(13)10(2)15/h3-8,10H,1-2H3,(H,16,17)
InChIKeyBQHJXLVJQBZVIH-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.76
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide

N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide (PubChem CID 113275866) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
PubChem CID113275866
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)Nc1ccccc1C(C)Br
InChIInChI=1S/C14H14BrNOS/c1-9-7-18-8-12(9)14(17)16-13-6-4-3-5-11(13)10(2)15/h3-8,10H,1-2H3,(H,16,17)
InChIKeyBQHJXLVJQBZVIH-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-(2-aminophenyl)-4-methylthiophene-3-carboxamide
CID 79802569
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
N-[2-(1-bromoethyl)phenyl]-4-chloro-2-hydroxybenzamide
CID 114315522
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650
N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
CID 114315609
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide (CID 113275866) is N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)Nc1ccccc1C(C)Br.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide?
The InChIKey is BQHJXLVJQBZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-7-18-8-12(9)14(17)16-13-6-4-3-5-11(13)10(2)15/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide?
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 113275866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).