2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide

C14H15BrN2O2S — CID 102832988

IUPAC2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
SMILESCc1sc(CNc2cccc(OCC(N)=O)c2)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-9-13(15)6-12(20-9)7-17-10-3-2-4-11(5-10)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18)
InChIKeyJFWCHOPUEXZFLI-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.30
Rot. Bonds6

About 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide

2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide (PubChem CID 102832988) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
PubChem CID102832988
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide
SMILESCc1sc(CNc2cccc(OCC(N)=O)c2)cc1Br
InChIInChI=1S/C14H15BrN2O2S/c1-9-13(15)6-12(20-9)7-17-10-3-2-4-11(5-10)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18)
InChIKeyJFWCHOPUEXZFLI-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 102832530
2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
CID 115876092
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
2-[3-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43720191
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
4-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]butanenitrile
CID 102834446
methyl 2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetate
CID 102831915
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235
2-[3-[(4-methoxyphenyl)methylamino]phenoxy]acetamide
CID 43720165
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
2-[3-[(3-aminothiophen-2-yl)methylamino]phenoxy]acetamide
CID 66386950

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide (CID 102832988) is 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide is Cc1sc(CNc2cccc(OCC(N)=O)c2)cc1Br.
What is the InChIKey of 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide?
The InChIKey is JFWCHOPUEXZFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9-13(15)6-12(20-9)7-17-10-3-2-4-11(5-10)19-8-14(16)18/h2-6,17H,7-8H2,1H3,(H2,16,18).
What are the key properties of 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide?
2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide has a molecular weight of 355.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 102832988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).