N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide

C16H19NO2S — CID 31932218

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO2S/c1-3-15(12-6-8-13(19-2)9-7-12)17-16(18)11-14-5-4-10-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyQPPDFHXWJJNTKQ-HNNXBMFYSA-N
MW289.40 g/mol
LogP3.57
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 31932218) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
PubChem CID31932218
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESCC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO2S/c1-3-15(12-6-8-13(19-2)9-7-12)17-16(18)11-14-5-4-10-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyQPPDFHXWJJNTKQ-HNNXBMFYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-2-thiophen-2-ylacetamide
CID 99779945
2-(4-ethylphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 133184871
N-[1-(4-methoxyphenyl)propyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18115498
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
2-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 78807011
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
(3R)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925629
(3S)-3-(4-propan-2-yloxyphenyl)-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 6925632
N-(4-methoxyphenyl)-2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetamide
CID 3378615
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide (CID 31932218) is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide is CC[C@H](NC(=O)Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is QPPDFHXWJJNTKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-15(12-6-8-13(19-2)9-7-12)17-16(18)11-14-5-4-10-20-14/h4-10,15H,3,11H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 31932218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).