2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide

C13H13BrN2O2S — CID 43720284

IUPAC2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C13H13BrN2O2S/c14-9-4-12(19-8-9)6-16-10-2-1-3-11(5-10)18-7-13(15)17/h1-5,8,16H,6-7H2,(H2,15,17)
InChIKeyWRFKXZRNKDNVQY-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.99
Rot. Bonds6

About 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide

2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide (PubChem CID 43720284) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
PubChem CID43720284
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1cccc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C13H13BrN2O2S/c14-9-4-12(19-8-9)6-16-10-2-1-3-11(5-10)18-7-13(15)17/h1-5,8,16H,6-7H2,(H2,15,17)
InChIKeyWRFKXZRNKDNVQY-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide 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-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
CID 102832988
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
CID 60958224
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
2-[3-(2-methylpropylamino)phenoxy]acetamide
CID 43720195
5-[(3-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79614000
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide (CID 43720284) is 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide is NC(=O)COc1cccc(NCc2cc(Br)cs2)c1.
What is the InChIKey of 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is WRFKXZRNKDNVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-9-4-12(19-8-9)6-16-10-2-1-3-11(5-10)18-7-13(15)17/h1-5,8,16H,6-7H2,(H2,15,17).
What are the key properties of 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide?
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 341.23 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 43720284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).