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

C18H23BrN2O4S — CID 23647950

IUPAC2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C18H23BrN2O4S/c1-21(6-7-22)18(24)11-25-16-5-3-2-4-13(16)9-20-10-15(23)17-8-14(19)12-26-17/h2-5,8,12,15,20,22-23H,6-7,9-11H2,1H3
InChIKeyOWKDQEAXSZCQFY-UHFFFAOYSA-N
MW443.36 g/mol
LogP2.16
Rot. Bonds10

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

2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 23647950) has the molecular formula C18H23BrN2O4S and a molecular weight of 443.36 g/mol. Its IUPAC name is 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID23647950
Molecular FormulaC18H23BrN2O4S
Molecular Weight443.36 g/mol
Exact Mass442.06
IUPAC Name2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCN(CCO)C(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
InChIInChI=1S/C18H23BrN2O4S/c1-21(6-7-22)18(24)11-25-16-5-3-2-4-13(16)9-20-10-15(23)17-8-14(19)12-26-17/h2-5,8,12,15,20,22-23H,6-7,9-11H2,1H3
InChIKeyOWKDQEAXSZCQFY-UHFFFAOYSA-N
XLogP2.16
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide with MolForge

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Related Compounds

CID 11574286
CID 11574286
CID 23647933
CID 23647933
CID 23647934
CID 23647934
CID 23647935
CID 23647935
CID 23647936
CID 23647936
CID 23647937
CID 23647937
CID 23647939
CID 23647939
CID 23647940
CID 23647940
CID 23647941
CID 23647941
CID 23647942
CID 23647942
CID 23647947
CID 23647947
CID 23647948
CID 23647948

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide (CID 23647950) is 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide is CN(CCO)C(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1.
What is the InChIKey of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is OWKDQEAXSZCQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4S/c1-21(6-7-22)18(24)11-25-16-5-3-2-4-13(16)9-20-10-15(23)17-8-14(19)12-26-17/h2-5,8,12,15,20,22-23H,6-7,9-11H2,1H3.
What are the key properties of 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 443.36 g/mol, XLogP of 2.16, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino]methyl]phenoxy]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 23647950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).