2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide

C24H24N2O2S — CID 20895193

IUPAC2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)C(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H24N2O2S/c1-3-17-10-12-18(13-11-17)28-16-23(27)26(2)24(22-9-6-14-29-22)20-15-25-21-8-5-4-7-19(20)21/h4-15,24-25H,3,16H2,1-2H3
InChIKeyJCYQSISRNITIJU-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.42
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide

2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 20895193) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
PubChem CID20895193
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
SMILESCCc1ccc(OCC(=O)N(C)C(c2cccs2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H24N2O2S/c1-3-17-10-12-18(13-11-17)28-16-23(27)26(2)24(22-9-6-14-29-22)20-15-25-21-8-5-4-7-19(20)21/h4-15,24-25H,3,16H2,1-2H3
InChIKeyJCYQSISRNITIJU-UHFFFAOYSA-N
XLogP5.42
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide
CID 26821155
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 38997374
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbutanamide
CID 43843126
2-(4-tert-butylphenoxy)-N-[(4-ethylphenyl)-(1H-indol-3-yl)methyl]-N-methylacetamide
CID 51064503
N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenoxy)acetamide
CID 26821173
N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylpentanamide
CID 45148699
4-fluoro-N-[(S)-1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylbenzamide
CID 26821151
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 35344394
N-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide
CID 43843744
N-ethyl-N-[(R)-1H-indol-3-yl-(4-methoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide
CID 35342667
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
N-ethyl-N-[(S)-1H-indol-3-yl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 35343469

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide (CID 20895193) is 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide is CCc1ccc(OCC(=O)N(C)C(c2cccs2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is JCYQSISRNITIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c1-3-17-10-12-18(13-11-17)28-16-23(27)26(2)24(22-9-6-14-29-22)20-15-25-21-8-5-4-7-19(20)21/h4-15,24-25H,3,16H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide?
2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 404.54 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[1H-indol-3-yl(thiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 20895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).