5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide

C13H12BrNO2S — CID 61222679

IUPAC5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO2S/c14-12-6-5-11(18-12)13(17)15-10-3-1-9(2-4-10)7-8-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyBTXWJBZTNNSXKB-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.30
Rot. Bonds4

About 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide

5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide (PubChem CID 61222679) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
PubChem CID61222679
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1ccc(Br)s1
InChIInChI=1S/C13H12BrNO2S/c14-12-6-5-11(18-12)13(17)15-10-3-1-9(2-4-10)7-8-16/h1-6,16H,7-8H2,(H,15,17)
InChIKeyBTXWJBZTNNSXKB-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[4-(2-hydroxyethyl)phenyl]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-[4-(2-hydroxyethyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 61221256
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
2-(5-bromothiophen-2-yl)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 111335516
5-bromo-N-[4-(diethylamino)phenyl]thiophene-2-carboxamide
CID 27229207
5-bromo-N-(4-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 18293102
5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
2-[[4-(2-hydroxyethyl)phenyl]carbamoyl]benzoic acid
CID 61236618
5-bromo-N-[4-[2-(dimethylamino)ethoxy]phenyl]thiophene-2-carboxamide
CID 60793021
5-bromo-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]thiophene-2-carboxamide
CID 56786334
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide (CID 61222679) is 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(CCO)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is BTXWJBZTNNSXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-12-6-5-11(18-12)13(17)15-10-3-1-9(2-4-10)7-8-16/h1-6,16H,7-8H2,(H,15,17).
What are the key properties of 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide?
5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 326.22 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61222679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).