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

C14H14BrNO2S — CID 32775638

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-4-2-10(3-5-11)8-14(17)16-9-12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLFGCPDRYYICBTL-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.38
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 32775638) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID32775638
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-18-11-4-2-10(3-5-11)8-14(17)16-9-12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLFGCPDRYYICBTL-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 32775769
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 8757204
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
(5-bromothiophen-2-yl)methyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9299518
N-[(5-benzoylthiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 90612901
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 61012579
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873467
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 32775718
N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide (CID 32775638) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is LFGCPDRYYICBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-11-4-2-10(3-5-11)8-14(17)16-9-12-6-7-13(15)19-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 340.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 32775638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).