N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide

C14H18FNOS — CID 113245262

IUPACN-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNOS/c1-2-18-13-8-7-12(9-13)16-14(17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyMXECOLODVNUDGA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.23
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide

N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide (PubChem CID 113245262) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
PubChem CID113245262
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide
SMILESCCSC1CCC(NC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNOS/c1-2-18-13-8-7-12(9-13)16-14(17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17)
InChIKeyMXECOLODVNUDGA-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709498
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
5-bromo-N-(3-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 103709559
4-chloro-N-(3-ethylsulfanylcyclopentyl)-3-nitrobenzamide
CID 103714414
2-(ethylamino)-N-(3-ethylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103738205
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
4-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)benzamide
CID 103797799
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
3-ethylsulfanyl-N-[1-(4-fluorophenyl)propan-2-yl]cyclopentan-1-amine
CID 103787278
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide (CID 113245262) is N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide is CCSC1CCC(NC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide?
The InChIKey is MXECOLODVNUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-2-18-13-8-7-12(9-13)16-14(17)10-3-5-11(15)6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide?
N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide has a molecular weight of 267.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzamide is sourced from PubChem (CID 113245262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).