N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide

C14H14BrNOS — CID 42999115

IUPACN-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-10(11-4-6-12(15)7-5-11)16-14(17)9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyUOCAERPFJPAZKX-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 42999115) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID42999115
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-10(11-4-6-12(15)7-5-11)16-14(17)9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyUOCAERPFJPAZKX-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798730
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
N-[1-(4-bromophenyl)ethyl]-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 55381742
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-[3-[1-(4-bromophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192625

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide (CID 42999115) is N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is UOCAERPFJPAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10(11-4-6-12(15)7-5-11)16-14(17)9-13-3-2-8-18-13/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 324.24 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42999115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).