N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide

C17H21NO3S — CID 90598353

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C17H21NO3S/c1-12-6-4-5-7-14(12)21-11-17(19)18-10-15(20-3)16-9-8-13(2)22-16/h4-9,15H,10-11H2,1-3H3,(H,18,19)
InChIKeyVUEXYFGBKCMBFL-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.25
Rot. Bonds7

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 90598353) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID90598353
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccccc1C)c1ccc(C)s1
InChIInChI=1S/C17H21NO3S/c1-12-6-4-5-7-14(12)21-11-17(19)18-10-15(20-3)16-9-8-13(2)22-16/h4-9,15H,10-11H2,1-3H3,(H,18,19)
InChIKeyVUEXYFGBKCMBFL-UHFFFAOYSA-N
XLogP3.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90598410
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
methyl 3-(2-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117240952
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
1-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-phenylurea
CID 90598631
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97417390
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]pent-4-enamide
CID 90598306
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 71810342
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
1-(2-fluorophenyl)-3-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 97417595

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide (CID 90598353) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide is COC(CNC(=O)COc1ccccc1C)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is VUEXYFGBKCMBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-6-4-5-7-14(12)21-11-17(19)18-10-15(20-3)16-9-8-13(2)22-16/h4-9,15H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 319.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90598353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).