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

C14H14BrNO3S — CID 32775769

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO3S/c1-18-10-2-4-11(5-3-10)19-9-14(17)16-8-12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLDGCTZIJTHXRPS-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.21
Rot. Bonds6

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

N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 32775769) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID32775769
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C14H14BrNO3S/c1-18-10-2-4-11(5-3-10)19-9-14(17)16-8-12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyLDGCTZIJTHXRPS-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 32775706
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 32774847
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
2-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61328653
2-[(5-bromothiophen-2-yl)methylamino]-N-(4-methoxyphenyl)acetamide
CID 61012579
N-[2-[(5-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 32776912
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
(5-bromothiophen-2-yl)methyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9299518
N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6176429
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide (CID 32775769) is N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is LDGCTZIJTHXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-18-10-2-4-11(5-3-10)19-9-14(17)16-8-12-6-7-13(15)20-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 356.24 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 32775769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).