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

C14H14BrNOS — CID 32776290

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C14H14BrNOS/c1-10-4-2-3-5-11(10)8-14(17)16-9-12-6-7-13(15)18-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyXSNBMBZOIGGKDY-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.68
Rot. Bonds4

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

N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 32776290) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID32776290
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1ccc(Br)s1
InChIInChI=1S/C14H14BrNOS/c1-10-4-2-3-5-11(10)8-14(17)16-9-12-6-7-13(15)18-12/h2-7H,8-9H2,1H3,(H,16,17)
InChIKeyXSNBMBZOIGGKDY-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]-2-pyridin-3-ylacetamide
CID 63900504
N-[(5-bromothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)propanamide
CID 32776552
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
(2S)-2-amino-N-[(5-bromothiophen-2-yl)methyl]-2-phenylacetamide
CID 93434478

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide (CID 32776290) is N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is XSNBMBZOIGGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10-4-2-3-5-11(10)8-14(17)16-9-12-6-7-13(15)18-12/h2-7H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 324.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 32776290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).