2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C17H20N2O3S — CID 9017979

IUPAC2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)Cc1sccc1C
InChIInChI=1S/C17H20N2O3S/c1-12-8-9-23-16(12)10-19(3)17(21)11-22-15-7-5-4-6-14(15)18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyILIOIPMFMOQGBZ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.05
Rot. Bonds6

About 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 9017979) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID9017979
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCC(=O)Nc1ccccc1OCC(=O)N(C)Cc1sccc1C
InChIInChI=1S/C17H20N2O3S/c1-12-8-9-23-16(12)10-19(3)17(21)11-22-15-7-5-4-6-14(15)18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyILIOIPMFMOQGBZ-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
2-(2-acetamidophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 7867334
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649361
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134031406
2-(2-acetamidophenoxy)-N,N-diethylacetamide
CID 7688277
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
2-(2-acetamidophenoxy)-N-benzyl-N-ethylacetamide
CID 7867368

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 9017979) is 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is CC(=O)Nc1ccccc1OCC(=O)N(C)Cc1sccc1C.
What is the InChIKey of 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is ILIOIPMFMOQGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-8-9-23-16(12)10-19(3)17(21)11-22-15-7-5-4-6-14(15)18-13(2)20/h4-9H,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 9017979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).