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

C14H15NO2S — CID 670019

IUPACN-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)10-15-14(16)9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKIXCLOXRBQEGGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 670019) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID670019
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)10-15-14(16)9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyKIXCLOXRBQEGGX-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
Thiophene derivative, 3f
CID 25023799
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5147612
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
N-[2-(2-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 1246879
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
4-methoxy-N-{2-[(2-methylphenyl)thio]ethyl}benzamide
CID 2216639
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide (CID 670019) is N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is COc1ccc(CNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is KIXCLOXRBQEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-12-6-4-11(5-7-12)10-15-14(16)9-13-3-2-8-18-13/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 670019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).