2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide

C17H17FN2O2S — CID 53032532

IUPAC2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O2S/c1-22-7-6-19-17(21)11-20-14-5-4-13(18)9-12(14)10-15(20)16-3-2-8-23-16/h2-5,8-10H,6-7,11H2,1H3,(H,19,21)
InChIKeyOULVBKRMKAGGIX-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.27
Rot. Bonds6

About 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide

2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 53032532) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID53032532
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21
InChIInChI=1S/C17H17FN2O2S/c1-22-7-6-19-17(21)11-20-14-5-4-13(18)9-12(14)10-15(20)16-3-2-8-23-16/h2-5,8-10H,6-7,11H2,1H3,(H,19,21)
InChIKeyOULVBKRMKAGGIX-UHFFFAOYSA-N
XLogP3.27
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907262
N-(2-methoxyethyl)-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 47772048
N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide
CID 46955814
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
N-[(3-bromophenyl)methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 20907278
N-[[5-(2-fluorophenyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272710
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
N-[[5-(6-acetamido-3-pyridinyl)-2-pyridinyl]methyl]-2-(2-thiophen-2-ylindol-1-yl)acetamide
CID 121272818
N-(2-methoxyethyl)-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]acetamide
CID 55432348
N-(2-methoxyethyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690068
2-(4-ethyl-8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(3-methoxypropyl)acetamide
CID 20885008
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methoxyethyl)acetamide
CID 113405123

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide (CID 53032532) is 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(-c2cccs2)cc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is OULVBKRMKAGGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-22-7-6-19-17(21)11-20-14-5-4-13(18)9-12(14)10-15(20)16-3-2-8-23-16/h2-5,8-10H,6-7,11H2,1H3,(H,19,21).
What are the key properties of 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide?
2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-thiophen-2-ylindol-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 53032532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).