N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide

C14H11BrN2OS — CID 47389178

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H11BrN2OS/c1-17(8-11-6-13(15)19-9-11)14(18)12-4-2-10(7-16)3-5-12/h2-6,9H,8H2,1H3
InChIKeyXUHHTGIEVIWMQJ-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.65
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide (PubChem CID 47389178) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
PubChem CID47389178
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H11BrN2OS/c1-17(8-11-6-13(15)19-9-11)14(18)12-4-2-10(7-16)3-5-12/h2-6,9H,8H2,1H3
InChIKeyXUHHTGIEVIWMQJ-UHFFFAOYSA-N
XLogP3.65
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide 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-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
CID 60977090
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide (CID 47389178) is N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide is CN(Cc1csc(Br)c1)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide?
The InChIKey is XUHHTGIEVIWMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-17(8-11-6-13(15)19-9-11)14(18)12-4-2-10(7-16)3-5-12/h2-6,9H,8H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide has a molecular weight of 335.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide is sourced from PubChem (CID 47389178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).