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

C14H15BrN2O2S — CID 60958224

IUPAC2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-5-13(20-9-11)7-17-6-10-1-3-12(4-2-10)19-8-14(16)18/h1-5,9,17H,6-8H2,(H2,16,18)
InChIKeyVQGPJIBDMXGXSR-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.66
Rot. Bonds7

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

2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide (PubChem CID 60958224) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
PubChem CID60958224
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCc2cc(Br)cs2)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-5-13(20-9-11)7-17-6-10-1-3-12(4-2-10)19-8-14(16)18/h1-5,9,17H,6-8H2,(H2,16,18)
InChIKeyVQGPJIBDMXGXSR-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-bromothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720284
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylphenyl)methanamine
CID 28833347
2-[4-[(2,5-dibromoanilino)methyl]phenoxy]acetamide
CID 43736688
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-bromo-4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenol
CID 60957070
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(pyridazin-3-ylmethylamino)methyl]phenoxy]acetamide
CID 106833902
2-[4-[(naphthalen-1-ylmethylamino)methyl]phenoxy]acetamide
CID 56820849

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide (CID 60958224) is 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCc2cc(Br)cs2)cc1.
What is the InChIKey of 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is VQGPJIBDMXGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-11-5-13(20-9-11)7-17-6-10-1-3-12(4-2-10)19-8-14(16)18/h1-5,9,17H,6-8H2,(H2,16,18).
What are the key properties of 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide?
2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 355.26 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 60958224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).