2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide

C19H21FN2O2S — CID 77082890

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC(CO)Cc1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-12-16(17-7-15(20)2-3-18(17)22-12)8-19(24)21-9-14(10-23)6-13-4-5-25-11-13/h2-5,7,11,14,22-23H,6,8-10H2,1H3,(H,21,24)
InChIKeyYQLCPQBEXJLWJU-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.19
Rot. Bonds7

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide (PubChem CID 77082890) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
PubChem CID77082890
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC(CO)Cc1ccsc1
InChIInChI=1S/C19H21FN2O2S/c1-12-16(17-7-15(20)2-3-18(17)22-12)8-19(24)21-9-14(10-23)6-13-4-5-25-11-13/h2-5,7,11,14,22-23H,6,8-10H2,1H3,(H,21,24)
InChIKeyYQLCPQBEXJLWJU-UHFFFAOYSA-N
XLogP3.19
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
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2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
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N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
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2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
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2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
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2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide (CID 77082890) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NCC(CO)Cc1ccsc1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide?
The InChIKey is YQLCPQBEXJLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-12-16(17-7-15(20)2-3-18(17)22-12)8-19(24)21-9-14(10-23)6-13-4-5-25-11-13/h2-5,7,11,14,22-23H,6,8-10H2,1H3,(H,21,24).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide has a molecular weight of 360.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]acetamide is sourced from PubChem (CID 77082890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).