N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide

C13H12BrNOS — CID 1246426

IUPACN-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccccc1Br
InChIInChI=1S/C13H12BrNOS/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h1-7H,8-9H2,(H,15,16)
InChIKeyKBPXLYZDSBBMMW-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.37
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide

N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 1246426) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID1246426
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC NameN-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCc1ccccc1Br
InChIInChI=1S/C13H12BrNOS/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h1-7H,8-9H2,(H,15,16)
InChIKeyKBPXLYZDSBBMMW-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide (CID 1246426) is N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is KBPXLYZDSBBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h1-7H,8-9H2,(H,15,16).
What are the key properties of N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 310.22 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1246426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).