2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C19H24BrN3O2S — CID 39912279

IUPAC2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-15(17)12-21-19(24)14-23-10-8-22(9-11-23)13-16-6-7-18(20)26-16/h2-7H,8-14H2,1H3,(H,21,24)
InChIKeyGGYYXOJLXCWOIV-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.95
Rot. Bonds7

About 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 39912279) has the molecular formula C19H24BrN3O2S and a molecular weight of 438.39 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID39912279
Molecular FormulaC19H24BrN3O2S
Molecular Weight438.39 g/mol
Exact Mass437.08
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-15(17)12-21-19(24)14-23-10-8-22(9-11-23)13-16-6-7-18(20)26-16/h2-7H,8-14H2,1H3,(H,21,24)
InChIKeyGGYYXOJLXCWOIV-UHFFFAOYSA-N
XLogP2.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9390698
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 55831285
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 39912279) is 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is GGYYXOJLXCWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2S/c1-25-17-5-3-2-4-15(17)12-21-19(24)14-23-10-8-22(9-11-23)13-16-6-7-18(20)26-16/h2-7H,8-14H2,1H3,(H,21,24).
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 438.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 39912279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).