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

C12H19NO3S — CID 97417361

IUPAC2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCCOCC(=O)NC[C@H](OC)c1ccc(C)s1
InChIInChI=1S/C12H19NO3S/c1-4-16-8-12(14)13-7-10(15-3)11-6-5-9(2)17-11/h5-6,10H,4,7-8H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOGGHTGUHZDTXFW-JTQLQIEISA-N
MW257.35 g/mol
LogP1.90
Rot. Bonds7

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

2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 97417361) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID97417361
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCCOCC(=O)NC[C@H](OC)c1ccc(C)s1
InChIInChI=1S/C12H19NO3S/c1-4-16-8-12(14)13-7-10(15-3)11-6-5-9(2)17-11/h5-6,10H,4,7-8H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyOGGHTGUHZDTXFW-JTQLQIEISA-N
XLogP1.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide (CID 97417361) is 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is CCOCC(=O)NC[C@H](OC)c1ccc(C)s1.
What is the InChIKey of 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is OGGHTGUHZDTXFW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-16-8-12(14)13-7-10(15-3)11-6-5-9(2)17-11/h5-6,10H,4,7-8H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide?
2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 257.35 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 97417361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).