4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide

C17H24N2O2S — CID 71976692

IUPAC4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
SMILESCCSC1CCCCC1NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H24N2O2S/c1-3-22-16-7-5-4-6-15(16)19-17(21)13-8-10-14(11-9-13)18-12(2)20/h8-11,15-16H,3-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWABXYOCMXSEWGK-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.44
Rot. Bonds5

About 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide

4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide (PubChem CID 71976692) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
PubChem CID71976692
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
SMILESCCSC1CCCCC1NC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H24N2O2S/c1-3-22-16-7-5-4-6-15(16)19-17(21)13-8-10-14(11-9-13)18-12(2)20/h8-11,15-16H,3-7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWABXYOCMXSEWGK-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide?
The IUPAC name of 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide (CID 71976692) is 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide.
What is the SMILES notation for 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide?
The canonical SMILES for 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide is CCSC1CCCCC1NC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide?
The InChIKey is WABXYOCMXSEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-22-16-7-5-4-6-15(16)19-17(21)13-8-10-14(11-9-13)18-12(2)20/h8-11,15-16H,3-7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide?
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide has a molecular weight of 320.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide is sourced from PubChem (CID 71976692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).