N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide

C17H24N2O2S — CID 71979758

IUPACN-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
SMILESCCSC1CCCC1NC(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C17H24N2O2S/c1-3-16(20)18-13-8-5-7-12(11-13)17(21)19-14-9-6-10-15(14)22-4-2/h5,7-8,11,14-15H,3-4,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVYMPMWHDHFZIIE-UHFFFAOYSA-N
MW320.46 g/mol
LogP3.44
Rot. Bonds6

About N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide

N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide (PubChem CID 71979758) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
PubChem CID71979758
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
SMILESCCSC1CCCC1NC(=O)c1cccc(NC(=O)CC)c1
InChIInChI=1S/C17H24N2O2S/c1-3-16(20)18-13-8-5-7-12(11-13)17(21)19-14-9-6-10-15(14)22-4-2/h5,7-8,11,14-15H,3-4,6,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVYMPMWHDHFZIIE-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-[(1S,2S)-2-(3-methylbutoxy)cyclohexyl]-3-(propanoylamino)benzamide
CID 97095254
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
5-acetamido-N-(2-ethylsulfanylcyclopentyl)-2-fluorobenzamide
CID 71979777
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
CID 103747794
N-(2-ethylsulfanylcyclopentyl)-2,3-difluorobenzamide
CID 103727628

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide (CID 71979758) is N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide is CCSC1CCCC1NC(=O)c1cccc(NC(=O)CC)c1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide?
The InChIKey is VYMPMWHDHFZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-3-16(20)18-13-8-5-7-12(11-13)17(21)19-14-9-6-10-15(14)22-4-2/h5,7-8,11,14-15H,3-4,6,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide?
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide has a molecular weight of 320.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 71979758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).