N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide

C14H17F2NOS — CID 103727628

IUPACN-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
SMILESCCSC1CCCC1NC(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NOS/c1-2-19-12-8-4-7-11(12)17-14(18)9-5-3-6-10(15)13(9)16/h3,5-6,11-12H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyZFZDBGLSUKZTTB-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.37
Rot. Bonds4

About N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide

N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide (PubChem CID 103727628) has the molecular formula C14H17F2NOS and a molecular weight of 285.36 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
PubChem CID103727628
Molecular FormulaC14H17F2NOS
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
SMILESCCSC1CCCC1NC(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NOS/c1-2-19-12-8-4-7-11(12)17-14(18)9-5-3-6-10(15)13(9)16/h3,5-6,11-12H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyZFZDBGLSUKZTTB-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
2,3-difluoro-N-(2-methylcyclopropyl)benzamide
CID 62661294
N-(2-ethylsulfanylcyclopentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103727551
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-3-fluoro-2-hydroxybenzamide
CID 110166110
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide (CID 103727628) is N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide is CCSC1CCCC1NC(=O)c1cccc(F)c1F.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide?
The InChIKey is ZFZDBGLSUKZTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS/c1-2-19-12-8-4-7-11(12)17-14(18)9-5-3-6-10(15)13(9)16/h3,5-6,11-12H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide?
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide has a molecular weight of 285.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide is sourced from PubChem (CID 103727628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).