2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide

C17H19NO2S — CID 30522244

IUPAC2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2(c3cccs3)CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-14-6-4-13(5-7-14)11-16(19)18-12-17(8-9-17)15-3-2-10-21-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,19)
InChIKeyIJVOUVFMQACAPM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide

2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide (PubChem CID 30522244) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
PubChem CID30522244
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCC2(c3cccs3)CC2)cc1
InChIInChI=1S/C17H19NO2S/c1-20-14-6-4-13(5-7-14)11-16(19)18-12-17(8-9-17)15-3-2-10-21-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,19)
InChIKeyIJVOUVFMQACAPM-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
2-bromo-5-methoxy-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzamide
CID 30522406
2-(4-chlorophenoxy)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide
CID 30522306
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[2-[[1-(4-methoxyphenyl)cyclohexyl]methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47921780
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide (CID 30522244) is 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide is COc1ccc(CC(=O)NCC2(c3cccs3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
The InChIKey is IJVOUVFMQACAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-14-6-4-13(5-7-14)11-16(19)18-12-17(8-9-17)15-3-2-10-21-15/h2-7,10H,8-9,11-12H2,1H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide?
2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(1-thiophen-2-ylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 30522244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).