N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide

C15H15NOS — CID 697489

IUPACN-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(9-8-14-7-4-12-18-14)16-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,16,17)
InChIKeyRQZQAZNCBRCIKW-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.12
Rot. Bonds5

About N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide

N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 697489) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID697489
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCCc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(9-8-14-7-4-12-18-14)16-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,16,17)
InChIKeyRQZQAZNCBRCIKW-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide (CID 697489) is N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is RQZQAZNCBRCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(9-8-14-7-4-12-18-14)16-11-10-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,16,17).
What are the key properties of N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide?
N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 257.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 697489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).