2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

C19H24N2O2S — CID 4788901

IUPAC2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-4-21(13-18(22)20-12-17-6-5-9-24-17)19(23)11-16-8-7-14(2)15(3)10-16/h5-10H,4,11-13H2,1-3H3,(H,20,22)
InChIKeyYNJKCOZQJONKDR-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.07
Rot. Bonds7

About 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide

2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (PubChem CID 4788901) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
PubChem CID4788901
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
SMILESCCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O2S/c1-4-21(13-18(22)20-12-17-6-5-9-24-17)19(23)11-16-8-7-14(2)15(3)10-16/h5-10H,4,11-13H2,1-3H3,(H,20,22)
InChIKeyYNJKCOZQJONKDR-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide (CID 4788901) is 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is CCN(CC(=O)NCc1cccs1)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
The InChIKey is YNJKCOZQJONKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-21(13-18(22)20-12-17-6-5-9-24-17)19(23)11-16-8-7-14(2)15(3)10-16/h5-10H,4,11-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide?
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 4788901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).