N-[(2-bromophenyl)methyl]thiophene-2-carboxamide

C12H10BrNOS — CID 1246750

IUPACN-[(2-bromophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C12H10BrNOS/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyBSPKTQHNTMHJJX-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.44
Rot. Bonds3

About N-[(2-bromophenyl)methyl]thiophene-2-carboxamide

N-[(2-bromophenyl)methyl]thiophene-2-carboxamide (PubChem CID 1246750) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]thiophene-2-carboxamide
PubChem CID1246750
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC NameN-[(2-bromophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C12H10BrNOS/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15)
InChIKeyBSPKTQHNTMHJJX-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]thiophene-2-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

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
Thiophene-2-carboxylic acid [2-(4-bromo-phenyl)-2-oxo-ethyl]-amide
CID 856376
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-(2-bromobenzyl)-2-(2-thienyl)acetamide
CID 1246426
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4,5-dibromothiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 4846218
2-bromo-N-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]benzamide
CID 16298017
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]thiophene-2-carboxamide (CID 1246750) is N-[(2-bromophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1Br)c1cccs1.
What is the InChIKey of N-[(2-bromophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is BSPKTQHNTMHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-10-5-2-1-4-9(10)8-14-12(15)11-6-3-7-16-11/h1-7H,8H2,(H,14,15).
What are the key properties of N-[(2-bromophenyl)methyl]thiophene-2-carboxamide?
N-[(2-bromophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 296.19 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).