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

C14H14BrNO2S — CID 47250123

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C14H14BrNO2S/c1-18-13-5-3-2-4-10(13)6-14(17)16-8-12-7-11(15)9-19-12/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyTUJSNDJLDPFVNL-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.38
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 47250123) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
PubChem CID47250123
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C14H14BrNO2S/c1-18-13-5-3-2-4-10(13)6-14(17)16-8-12-7-11(15)9-19-12/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyTUJSNDJLDPFVNL-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

1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 47058897
N-[(2-bromo-5-fluorophenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 55900087
N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-4-methoxybenzamide
CID 60794568
N-[(4-bromothiophen-2-yl)methyl]-1-methoxyisoquinoline-3-carboxamide
CID 71885176
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18133750
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide (CID 47250123) is N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is TUJSNDJLDPFVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-13-5-3-2-4-10(13)6-14(17)16-8-12-7-11(15)9-19-12/h2-5,7,9H,6,8H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-(2-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-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 47250123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).