N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

C16H19NO3S — CID 2971097

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-11(17-16(18)10-13-5-4-8-21-13)12-6-7-14(19-2)15(9-12)20-3/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyWJJMBBLLKPKTGU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.19
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 2971097) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID2971097
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(C)NC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-11(17-16(18)10-13-5-4-8-21-13)12-6-7-14(19-2)15(9-12)20-3/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyWJJMBBLLKPKTGU-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 99779947
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 31932218
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
(3S)-3-(3,4-dimethoxyphenyl)-3-(3-thiophen-2-ylpropanoylamino)propanoic acid
CID 97201701
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 90613580
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 2971097) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is COc1ccc(C(C)NC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is WJJMBBLLKPKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11(17-16(18)10-13-5-4-8-21-13)12-6-7-14(19-2)15(9-12)20-3/h4-9,11H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 305.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2971097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).