N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide

C14H14BrNOS — CID 114315609

IUPACN-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
SMILESCC(Br)c1ccccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-10(15)12-4-2-3-5-13(12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyWDSRHAJGKFHLCT-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.39
Rot. Bonds4

About N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide

N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 114315609) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID114315609
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide
SMILESCC(Br)c1ccccc1NC(=O)Cc1ccsc1
InChIInChI=1S/C14H14BrNOS/c1-10(15)12-4-2-3-5-13(12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17)
InChIKeyWDSRHAJGKFHLCT-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-thiophen-3-ylacetamide
CID 7750935
N-[2-(difluoromethoxy)phenyl]-2-thiophen-3-ylacetamide
CID 7941457
N-(2-sulfamoylphenyl)-2-thiophen-3-ylacetamide
CID 61129954
N-(1-naphthalen-1-ylethyl)-2-thiophen-3-ylacetamide
CID 51151768
N-[2-(4-ethoxyphenoxy)phenyl]-2-thiophen-3-ylacetamide
CID 8002490
N-[2-(1-bromoethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 114032037
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide (CID 114315609) is N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide is CC(Br)c1ccccc1NC(=O)Cc1ccsc1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is WDSRHAJGKFHLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10(15)12-4-2-3-5-13(12)16-14(17)8-11-6-7-18-9-11/h2-7,9-10H,8H2,1H3,(H,16,17).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide?
N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 324.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 114315609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).