N-(2-methylphenyl)-2-thiophen-2-ylacetamide

C13H13NOS — CID 670140

IUPACN-(2-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)14-13(15)9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyAOLHVEOEGDVOKY-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.24
Rot. Bonds3

About N-(2-methylphenyl)-2-thiophen-2-ylacetamide

N-(2-methylphenyl)-2-thiophen-2-ylacetamide (PubChem CID 670140) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-thiophen-2-ylacetamide
PubChem CID670140
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC NameN-(2-methylphenyl)-2-thiophen-2-ylacetamide
SMILESCc1ccccc1NC(=O)Cc1cccs1
InChIInChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)14-13(15)9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15)
InChIKeyAOLHVEOEGDVOKY-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-methylphenyl)-2-thiophen-2-ylacetamide (CID 670140) is N-(2-methylphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-methylphenyl)-2-thiophen-2-ylacetamide is Cc1ccccc1NC(=O)Cc1cccs1.
What is the InChIKey of N-(2-methylphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is AOLHVEOEGDVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-10-5-2-3-7-12(10)14-13(15)9-11-6-4-8-16-11/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(2-methylphenyl)-2-thiophen-2-ylacetamide?
N-(2-methylphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 231.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).