N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide

C15H20FNO2S — CID 97014216

IUPACN-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide
SMILESCCOCCNC(=O)CS[C@H]1CCc2c(F)cccc21
InChIInChI=1S/C15H20FNO2S/c1-2-19-9-8-17-15(18)10-20-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14H,2,6-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyFESYSJDQGLQTDD-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds7

About N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide

N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide (PubChem CID 97014216) has the molecular formula C15H20FNO2S and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide
PubChem CID97014216
Molecular FormulaC15H20FNO2S
Molecular Weight297.40 g/mol
Exact Mass297.12
IUPAC NameN-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide
SMILESCCOCCNC(=O)CS[C@H]1CCc2c(F)cccc21
InChIInChI=1S/C15H20FNO2S/c1-2-19-9-8-17-15(18)10-20-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14H,2,6-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyFESYSJDQGLQTDD-AWEZNQCLSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
ethyl 2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 86641632
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
1-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110024180
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71860616
2-[(2-ethoxyethylamino)methyl]-6-fluorophenol
CID 112606435

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide (CID 97014216) is N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide is CCOCCNC(=O)CS[C@H]1CCc2c(F)cccc21.
What is the InChIKey of N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide?
The InChIKey is FESYSJDQGLQTDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FNO2S/c1-2-19-9-8-17-15(18)10-20-14-7-6-11-12(14)4-3-5-13(11)16/h3-5,14H,2,6-10H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide?
N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide is sourced from PubChem (CID 97014216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).