4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide

C15H18N2OS — CID 103727544

IUPAC4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N2OS/c1-2-19-14-5-3-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h6-9,13-14H,2-5H2,1H3,(H,17,18)
InChIKeyFTOABRAPTQFONQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.96
Rot. Bonds4

About 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide

4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide (PubChem CID 103727544) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
PubChem CID103727544
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
SMILESCCSC1CCCC1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H18N2OS/c1-2-19-14-5-3-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h6-9,13-14H,2-5H2,1H3,(H,17,18)
InChIKeyFTOABRAPTQFONQ-UHFFFAOYSA-N
XLogP2.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-bromocyclohexyl)-4-cyanobenzamide
CID 114311872
N-(2-bromocycloheptyl)-4-cyanobenzamide
CID 113395146
4-cyano-N-(2-propylcyclopropyl)benzamide
CID 103713616
2-bromo-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 113249262
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide?
The IUPAC name of 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide (CID 103727544) is 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide is CCSC1CCCC1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide?
The InChIKey is FTOABRAPTQFONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-19-14-5-3-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h6-9,13-14H,2-5H2,1H3,(H,17,18).
What are the key properties of 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide?
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide has a molecular weight of 274.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 103727544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).