N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide

C16H19NO4S — CID 113102045

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cc(OC)cc(OCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C16H19NO4S/c1-19-12-8-13(20-2)10-14(9-12)21-6-5-17-16(18)11-15-4-3-7-22-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyZQABNFGFRIXOAQ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.50
Rot. Bonds8

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 113102045) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
PubChem CID113102045
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cc(OC)cc(OCCNC(=O)Cc2cccs2)c1
InChIInChI=1S/C16H19NO4S/c1-19-12-8-13(20-2)10-14(9-12)21-6-5-17-16(18)11-15-4-3-7-22-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18)
InChIKeyZQABNFGFRIXOAQ-UHFFFAOYSA-N
XLogP2.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
N-[2-(2-chloro-5-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 113102822
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-(4-methoxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 75435246
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 112975608
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110324143

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide (CID 113102045) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide is COc1cc(OC)cc(OCCNC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ZQABNFGFRIXOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-19-12-8-13(20-2)10-14(9-12)21-6-5-17-16(18)11-15-4-3-7-22-15/h3-4,7-10H,5-6,11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 321.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113102045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).