2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

C11H17NO3S — CID 90523997

IUPAC2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESCCOCC(=O)NCCC(O)c1cccs1
InChIInChI=1S/C11H17NO3S/c1-2-15-8-11(14)12-6-5-9(13)10-4-3-7-16-10/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,12,14)
InChIKeyYYVKKUTYOMZHKV-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.32
Rot. Bonds7

About 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide

2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (PubChem CID 90523997) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
PubChem CID90523997
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
SMILESCCOCC(=O)NCCC(O)c1cccs1
InChIInChI=1S/C11H17NO3S/c1-2-15-8-11(14)12-6-5-9(13)10-4-3-7-16-10/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,12,14)
InChIKeyYYVKKUTYOMZHKV-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
2-(2-fluorophenoxy)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787814
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 90524092
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)naphthalene-1-carboxamide
CID 90524106
1-(3-hydroxy-3-thiophen-2-ylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 90524306
1-(4-tert-butylphenyl)-3-(3-hydroxy-3-thiophen-2-ylpropyl)urea
CID 71787902
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 90524247
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide (CID 90523997) is 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is CCOCC(=O)NCCC(O)c1cccs1.
What is the InChIKey of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
The InChIKey is YYVKKUTYOMZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-15-8-11(14)12-6-5-9(13)10-4-3-7-16-10/h3-4,7,9,13H,2,5-6,8H2,1H3,(H,12,14).
What are the key properties of 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide?
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide has a molecular weight of 243.33 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 90523997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).