N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide

C15H16BrNO2S — CID 18133750

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S/c1-19-13-5-3-2-4-11(13)10-15(18)17-9-8-12-6-7-14(16)20-12/h2-7H,8-10H2,1H3,(H,17,18)
InChIKeyTUZKVPAIZPIZCP-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 18133750) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID18133750
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C15H16BrNO2S/c1-19-13-5-3-2-4-11(13)10-15(18)17-9-8-12-6-7-14(16)20-12/h2-7H,8-10H2,1H3,(H,17,18)
InChIKeyTUZKVPAIZPIZCP-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
3-(5-chlorothiophen-2-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 87000667
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873467
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 39912279
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
CID 110767727
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide (CID 18133750) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is TUZKVPAIZPIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-19-13-5-3-2-4-11(13)10-15(18)17-9-8-12-6-7-14(16)20-12/h2-7H,8-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 354.27 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 18133750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).