5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide

C16H21FN2O2S — CID 71979777

IUPAC5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCCC1NC(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C16H21FN2O2S/c1-3-22-15-6-4-5-14(15)19-16(21)12-9-11(18-10(2)20)7-8-13(12)17/h7-9,14-15H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRFAZMOABHZHMFR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.19
Rot. Bonds5

About 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide

5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide (PubChem CID 71979777) has the molecular formula C16H21FN2O2S and a molecular weight of 324.42 g/mol. Its IUPAC name is 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
PubChem CID71979777
Molecular FormulaC16H21FN2O2S
Molecular Weight324.42 g/mol
Exact Mass324.13
IUPAC Name5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
SMILESCCSC1CCCC1NC(=O)c1cc(NC(C)=O)ccc1F
InChIInChI=1S/C16H21FN2O2S/c1-3-22-15-6-4-5-14(15)19-16(21)12-9-11(18-10(2)20)7-8-13(12)17/h7-9,14-15H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRFAZMOABHZHMFR-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71976692
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2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
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N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide (CID 71979777) is 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide is CCSC1CCCC1NC(=O)c1cc(NC(C)=O)ccc1F.
What is the InChIKey of 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
The InChIKey is RFAZMOABHZHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2S/c1-3-22-15-6-4-5-14(15)19-16(21)12-9-11(18-10(2)20)7-8-13(12)17/h7-9,14-15H,3-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide?
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide has a molecular weight of 324.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide is sourced from PubChem (CID 71979777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).