N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide

C13H12BrNO3S — CID 78986095

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C13H12BrNO3S/c1-18-8-2-3-11(16)9(6-8)13(17)15-7-12-10(14)4-5-19-12/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyDSSBIPOKEBENCY-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.15
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide

N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 78986095) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
PubChem CID78986095
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C13H12BrNO3S/c1-18-8-2-3-11(16)9(6-8)13(17)15-7-12-10(14)4-5-19-12/h2-6,16H,7H2,1H3,(H,15,17)
InChIKeyDSSBIPOKEBENCY-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide 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

2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-[(3-bromothiophen-2-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 113434715
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
CID 79209843
N-[(3-bromothiophen-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 115598108
N-[(3-bromothiophen-2-yl)methyl]-2,4-difluoro-5-methylbenzamide
CID 112696487
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-fluorobenzamide
CID 78986020
2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
N-[(3-bromothiophen-2-yl)methyl]-4-chloro-2-fluorobenzamide
CID 78986114

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide (CID 78986095) is N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCc2sccc2Br)c1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is DSSBIPOKEBENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c1-18-8-2-3-11(16)9(6-8)13(17)15-7-12-10(14)4-5-19-12/h2-6,16H,7H2,1H3,(H,15,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide?
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 342.21 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 78986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).