2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide

C16H19NO2S — CID 71990852

IUPAC2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
SMILESCCc1ccc(CC(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-12-5-7-13(8-6-12)10-16(19)17-11-14(18)15-4-3-9-20-15/h3-9,14,18H,2,10-11H2,1H3,(H,17,19)
InChIKeyRUMGWZXAFWOICA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide

2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide (PubChem CID 71990852) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
PubChem CID71990852
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide
SMILESCCc1ccc(CC(=O)NCC(O)c2cccs2)cc1
InChIInChI=1S/C16H19NO2S/c1-2-12-5-7-13(8-6-12)10-16(19)17-11-14(18)15-4-3-9-20-15/h3-9,14,18H,2,10-11H2,1H3,(H,17,19)
InChIKeyRUMGWZXAFWOICA-UHFFFAOYSA-N
XLogP2.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
2-[(4-ethylphenyl)methylamino]-1-thiophen-2-ylethanol
CID 113239709
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-(4-methoxyphenyl)propanamide
CID 95967214
2-(4-fluorophenyl)-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 71787802
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide (CID 71990852) is 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide is CCc1ccc(CC(=O)NCC(O)c2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide?
The InChIKey is RUMGWZXAFWOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-2-12-5-7-13(8-6-12)10-16(19)17-11-14(18)15-4-3-9-20-15/h3-9,14,18H,2,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide?
2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 71990852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).