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

C15H17BrN2O3S — CID 23647947

IUPAC2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H17BrN2O3S/c16-11-5-14(22-9-11)12(19)7-18-6-10-3-1-2-4-13(10)21-8-15(17)20/h1-5,9,12,18-19H,6-8H2,(H2,17,20)
InChIKeyQZUPAPSTAHZYQS-UHFFFAOYSA-N
MW385.28 g/mol
LogP2.20
Rot. Bonds8

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

2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide (PubChem CID 23647947) has the molecular formula C15H17BrN2O3S and a molecular weight of 385.28 g/mol. Its IUPAC name is 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide
PubChem CID23647947
Molecular FormulaC15H17BrN2O3S
Molecular Weight385.28 g/mol
Exact Mass384.01
IUPAC Name2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C15H17BrN2O3S/c16-11-5-14(22-9-11)12(19)7-18-6-10-3-1-2-4-13(10)21-8-15(17)20/h1-5,9,12,18-19H,6-8H2,(H2,17,20)
InChIKeyQZUPAPSTAHZYQS-UHFFFAOYSA-N
XLogP2.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-({[2-(4-Bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]ethan-1-ol
CID 11574286
1-(4-Bromothiophen-2-yl)-2-{[(2-methoxyphenyl)methyl]amino}ethan-1-ol
CID 23647933
1-(4-Bromothiophen-2-yl)-2-{[(2-phenoxyphenyl)methyl]amino}ethan-1-ol
CID 23647934
1-(4-Bromothiophen-2-yl)-2-({[2-(methoxymethoxy)phenyl]methyl}amino)ethan-1-ol
CID 23647935
2-[2-({[2-(4-Bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]acetonitrile
CID 23647936
2-({[2-(2-Aminoethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647937
1-(4-Bromothiophen-2-yl)-2-[({2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amino]ethan-1-ol
CID 23647939
1-(4-Bromothiophen-2-yl)-2-({[2-(prop-2-en-1-yloxy)phenyl]methyl}amino)ethan-1-ol
CID 23647940
2-({[2-(Benzyloxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol
CID 23647941
Ethanolamine, 44
CID 23647942
2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]-N-ethylacetamide
CID 23647948
2-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]-N-[(methylcarbamoyl)methyl]acetamide
CID 23647949

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide (CID 23647947) is 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide is NC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide?
The InChIKey is QZUPAPSTAHZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S/c16-11-5-14(22-9-11)12(19)7-18-6-10-3-1-2-4-13(10)21-8-15(17)20/h1-5,9,12,18-19H,6-8H2,(H2,17,20).
What are the key properties of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide?
2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide has a molecular weight of 385.28 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 23647947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).