N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide

C14H15NOS — CID 670058

IUPACN-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyCWLVAWNDMFRWPI-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 670058) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID670058
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyCWLVAWNDMFRWPI-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 670058) is N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide is Cc1ccc(CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is CWLVAWNDMFRWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11-4-6-12(7-5-11)10-15-14(16)9-13-3-2-8-17-13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 245.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).