N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide

C16H19NO2S — CID 71810462

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOC(CNC(=O)Cc1cccs1)c1ccccc1C
InChIInChI=1S/C16H19NO2S/c1-12-6-3-4-8-14(12)15(19-2)11-17-16(18)10-13-7-5-9-20-13/h3-9,15H,10-11H2,1-2H3,(H,17,18)
InChIKeyBTBGXGQGHUKBCR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.10
Rot. Bonds6

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 71810462) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID71810462
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOC(CNC(=O)Cc1cccs1)c1ccccc1C
InChIInChI=1S/C16H19NO2S/c1-12-6-3-4-8-14(12)15(19-2)11-17-16(18)10-13-7-5-9-20-13/h3-9,15H,10-11H2,1-2H3,(H,17,18)
InChIKeyBTBGXGQGHUKBCR-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methylthiophene-2-carboxylate
CID 2099233
[(2-Phenylethyl)carbamoyl]methyl 3-methylthiophene-2-carboxylate
CID 2436450
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
CID 42627883
Thiophene-2-carboxylic acid 1-phenethylcarbamoyl-ethyl ester
CID 3220260
Thiophene-2-carboxylic acid 2-methyl-1-phenethylcarbamoyl-propyl ester
CID 3220268
[2-Oxo-2-(2-phenylpropylamino)ethyl] thiophene-2-carboxylate
CID 16332650
Thiophene-2-carboxylic acid (2-methoxy-ethylcarbamoyl)-phenyl-methyl ester
CID 654711
N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-ylacetamide
CID 42627882
(4R,5R)-5-((R)-Methoxy-thiophen-2-yl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398422
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516840

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 71810462) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide is COC(CNC(=O)Cc1cccs1)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BTBGXGQGHUKBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-6-3-4-8-14(12)15(19-2)11-17-16(18)10-13-7-5-9-20-13/h3-9,15H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71810462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).