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

C13H12BrNO2S — CID 103717860

IUPACN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCc1sccc1Br)C(O)c1ccccc1
InChIInChI=1S/C13H12BrNO2S/c14-10-6-7-18-11(10)8-15-13(17)12(16)9-4-2-1-3-5-9/h1-7,12,16H,8H2,(H,15,17)
InChIKeyZQESZOPZHFWNJM-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.86
Rot. Bonds4

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

N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 103717860) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID103717860
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
SMILESO=C(NCc1sccc1Br)C(O)c1ccccc1
InChIInChI=1S/C13H12BrNO2S/c14-10-6-7-18-11(10)8-15-13(17)12(16)9-4-2-1-3-5-9/h1-7,12,16H,8H2,(H,15,17)
InChIKeyZQESZOPZHFWNJM-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
N-[(3-bromothiophen-2-yl)methyl]-2-cyanopropanamide
CID 78996324
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019
3-(3-bromothiophen-2-yl)-2-phenylpropanoic acid
CID 65430568
N-[(3-bromothiophen-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 78985906
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
CID 103458210
2-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 82130126
N-[(3-methylthiophen-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 46592818
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 78986080
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide (CID 103717860) is N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide is O=C(NCc1sccc1Br)C(O)c1ccccc1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is ZQESZOPZHFWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-10-6-7-18-11(10)8-15-13(17)12(16)9-4-2-1-3-5-9/h1-7,12,16H,8H2,(H,15,17).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide?
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 326.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 103717860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).