N-(3-phenylpropyl)-2-thiophen-2-ylacetamide

C15H17NOS — CID 2299844

IUPACN-(3-phenylpropyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1ccccc1
InChIInChI=1S/C15H17NOS/c17-15(12-14-9-5-11-18-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,16,17)
InChIKeyMHBYNFPZYOHVJO-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.04
Rot. Bonds6

About N-(3-phenylpropyl)-2-thiophen-2-ylacetamide

N-(3-phenylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 2299844) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-thiophen-2-ylacetamide
PubChem CID2299844
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(3-phenylpropyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCCc1ccccc1
InChIInChI=1S/C15H17NOS/c17-15(12-14-9-5-11-18-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,16,17)
InChIKeyMHBYNFPZYOHVJO-UHFFFAOYSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-phenylpropyl)-2-thiophen-2-ylacetamide (CID 2299844) is N-(3-phenylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is MHBYNFPZYOHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c17-15(12-14-9-5-11-18-14)16-10-4-8-13-6-2-1-3-7-13/h1-3,5-7,9,11H,4,8,10,12H2,(H,16,17).
What are the key properties of N-(3-phenylpropyl)-2-thiophen-2-ylacetamide?
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 259.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2299844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).