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

C17H21NO4S — CID 90598381

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C17H21NO4S/c1-12-8-9-16(23-12)15(21-3)10-18-17(19)11-22-14-7-5-4-6-13(14)20-2/h4-9,15H,10-11H2,1-3H3,(H,18,19)
InChIKeyCXKVNMWIPJIKCH-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.95
Rot. Bonds8

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

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 90598381) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID90598381
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC(OC)c1ccc(C)s1
InChIInChI=1S/C17H21NO4S/c1-12-8-9-16(23-12)15(21-3)10-18-17(19)11-22-14-7-5-4-6-13(14)20-2/h4-9,15H,10-11H2,1-3H3,(H,18,19)
InChIKeyCXKVNMWIPJIKCH-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 90598426
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
1-(3,4-dimethoxyphenyl)-3-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]urea
CID 90598650
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 90598381) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC(OC)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CXKVNMWIPJIKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12-8-9-16(23-12)15(21-3)10-18-17(19)11-22-14-7-5-4-6-13(14)20-2/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-methoxyphenoxy)acetamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 90598381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).