4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

C13H12BrNO2S — CID 90500059

IUPAC4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyRSLANKRMYWQNFV-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.97
Rot. Bonds4

About 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide

4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 90500059) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID90500059
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(O)c1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7,11,16H,8H2,(H,15,17)
InChIKeyRSLANKRMYWQNFV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide 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-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 99952139
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
4-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 8798377
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 90500059) is 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is O=C(NCC(O)c1cccs1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RSLANKRMYWQNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7,11,16H,8H2,(H,15,17).
What are the key properties of 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide?
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 326.22 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90500059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).