5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide

C14H14BrNO3S — CID 55594760

IUPAC5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)s2)c1OC
InChIInChI=1S/C14H14BrNO3S/c1-18-10-5-3-4-9(13(10)19-2)8-16-14(17)11-6-7-12(15)20-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyYNYFQXIJMNRTGG-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.46
Rot. Bonds5

About 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 55594760) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID55594760
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)s2)c1OC
InChIInChI=1S/C14H14BrNO3S/c1-18-10-5-3-4-9(13(10)19-2)8-16-14(17)11-6-7-12(15)20-11/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyYNYFQXIJMNRTGG-UHFFFAOYSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2,3-dimethoxyphenyl)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

N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 20940535
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
2-bromo-5-chloro-N-[(2,3-dimethoxyphenyl)methyl]benzamide
CID 78851822
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
5-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 53124439
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide (CID 55594760) is 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide is COc1cccc(CNC(=O)c2ccc(Br)s2)c1OC.
What is the InChIKey of 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is YNYFQXIJMNRTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-18-10-5-3-4-9(13(10)19-2)8-16-14(17)11-6-7-12(15)20-11/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 356.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 55594760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).