N-(1-phenylethyl)-2-thiophen-2-ylacetamide

C14H15NOS — CID 3155579

IUPACN-(1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-14(16)10-13-8-5-9-17-13/h2-9,11H,10H2,1H3,(H,15,16)
InChIKeyAOIIVEKHPUBMTG-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.17
Rot. Bonds4

About N-(1-phenylethyl)-2-thiophen-2-ylacetamide

N-(1-phenylethyl)-2-thiophen-2-ylacetamide (PubChem CID 3155579) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-thiophen-2-ylacetamide
PubChem CID3155579
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-(1-phenylethyl)-2-thiophen-2-ylacetamide
SMILESCC(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-14(16)10-13-8-5-9-17-13/h2-9,11H,10H2,1H3,(H,15,16)
InChIKeyAOIIVEKHPUBMTG-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-thiophen-2-ylacetamide (CID 3155579) is N-(1-phenylethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-thiophen-2-ylacetamide is CC(NC(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
The InChIKey is AOIIVEKHPUBMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11(12-6-3-2-4-7-12)15-14(16)10-13-8-5-9-17-13/h2-9,11H,10H2,1H3,(H,15,16).
What are the key properties of N-(1-phenylethyl)-2-thiophen-2-ylacetamide?
N-(1-phenylethyl)-2-thiophen-2-ylacetamide has a molecular weight of 245.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 3155579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).