2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide

C20H20FNO3S — CID 24512004

IUPAC2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
SMILESCC1CC(=O)c2c(OCC(=O)NCCSc3ccccc3)ccc(F)c21
InChIInChI=1S/C20H20FNO3S/c1-13-11-16(23)20-17(8-7-15(21)19(13)20)25-12-18(24)22-9-10-26-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,24)
InChIKeyKYNMWOKRTIUOQW-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.80
Rot. Bonds7

About 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide

2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide (PubChem CID 24512004) has the molecular formula C20H20FNO3S and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
PubChem CID24512004
Molecular FormulaC20H20FNO3S
Molecular Weight373.45 g/mol
Exact Mass373.11
IUPAC Name2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide
SMILESCC1CC(=O)c2c(OCC(=O)NCCSc3ccccc3)ccc(F)c21
InChIInChI=1S/C20H20FNO3S/c1-13-11-16(23)20-17(8-7-15(21)19(13)20)25-12-18(24)22-9-10-26-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,24)
InChIKeyKYNMWOKRTIUOQW-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.80
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-benzyl-2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 26565052
N-benzhydryl-2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]acetamide
CID 40803983
2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 167420894
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzamide
CID 8529413
2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylphenyl)acetamide
CID 24582157
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
2-(2-tert-butylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 9173698
ethyl 2-[2-oxo-2-(2-phenylsulfanylethylamino)ethoxy]benzoate
CID 9371413
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
2-ethoxy-N-(2-phenylsulfanylethyl)acetamide
CID 60668624

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide?
The IUPAC name of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide (CID 24512004) is 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide?
The canonical SMILES for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide is CC1CC(=O)c2c(OCC(=O)NCCSc3ccccc3)ccc(F)c21.
What is the InChIKey of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide?
The InChIKey is KYNMWOKRTIUOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3S/c1-13-11-16(23)20-17(8-7-15(21)19(13)20)25-12-18(24)22-9-10-26-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,22,24).
What are the key properties of 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide?
2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide is sourced from PubChem (CID 24512004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).