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

C16H19NO3S — CID 785974

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-19-14-6-5-12(10-15(14)20-2)7-8-17-16(18)11-13-4-3-9-21-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,18)
InChIKeyOJNPGKXRZMNEMT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 785974) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID785974
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-19-14-6-5-12(10-15(14)20-2)7-8-17-16(18)11-13-4-3-9-21-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,18)
InChIKeyOJNPGKXRZMNEMT-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]acetamide
CID 55411817
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111213089
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46664714
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 42695652
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 785974) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is COc1ccc(CCNC(=O)Cc2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is OJNPGKXRZMNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-14-6-5-12(10-15(14)20-2)7-8-17-16(18)11-13-4-3-9-21-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 785974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).