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

C15H17NOS — CID 6470744

IUPACN-(1-phenylpropyl)-2-thiophen-2-ylacetamide
SMILESCCC(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NOS/c1-2-14(12-7-4-3-5-8-12)16-15(17)11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17)
InChIKeyAJNVHGXUPXNTLB-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.56
Rot. Bonds5

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

N-(1-phenylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 6470744) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(1-phenylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-2-thiophen-2-ylacetamide
PubChem CID6470744
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-(1-phenylpropyl)-2-thiophen-2-ylacetamide
SMILESCCC(NC(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H17NOS/c1-2-14(12-7-4-3-5-8-12)16-15(17)11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17)
InChIKeyAJNVHGXUPXNTLB-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(1-phenylpropyl)-2-thiophen-2-ylacetamide (CID 6470744) is N-(1-phenylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(1-phenylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(1-phenylpropyl)-2-thiophen-2-ylacetamide is CCC(NC(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is AJNVHGXUPXNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-2-14(12-7-4-3-5-8-12)16-15(17)11-13-9-6-10-18-13/h3-10,14H,2,11H2,1H3,(H,16,17).
What are the key properties of N-(1-phenylpropyl)-2-thiophen-2-ylacetamide?
N-(1-phenylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 259.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6470744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).