N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide

C14H18N2O4S — CID 103747794

IUPACN-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H18N2O4S/c1-2-21-13-5-3-4-10(13)15-14(18)9-6-7-11(16(19)20)12(17)8-9/h6-8,10,13,17H,2-5H2,1H3,(H,15,18)
InChIKeyUGIVQFAIGXHRPK-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.70
Rot. Bonds5

About N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide

N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 103747794) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
PubChem CID103747794
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide
SMILESCCSC1CCCC1NC(=O)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C14H18N2O4S/c1-2-21-13-5-3-4-10(13)15-14(18)9-6-7-11(16(19)20)12(17)8-9/h6-8,10,13,17H,2-5H2,1H3,(H,15,18)
InChIKeyUGIVQFAIGXHRPK-UHFFFAOYSA-N
XLogP2.70
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-3,5-dihydroxybenzamide
CID 103892654
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
3-chloro-N-[(1R,2R)-2-ethylsulfanylcyclopentyl]benzamide
CID 95972451
N-(2-ethylsulfanylcyclopentyl)-4-sulfanylbenzamide
CID 114122127
N-(4,4-dimethylcyclohexyl)-3-hydroxy-4-nitrobenzamide
CID 103711757
4-cyano-N-(2-ethylsulfanylcyclopentyl)benzamide
CID 103727544
N-(2-ethylsulfanylcyclopentyl)-3-(propanoylamino)benzamide
CID 71979758
N-(2-ethylsulfanylcyclopentyl)-4-(methoxymethyl)benzamide
CID 71979764
N-(2-ethylsulfanylcyclopentyl)-4-hydroxy-2-methylbenzamide
CID 103863837
3-hydroxy-4-nitro-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 99833611
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
3-hydroxy-4-iodo-N-(2-methylsulfanylcyclopentyl)benzamide
CID 104628956

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide (CID 103747794) is N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide is CCSC1CCCC1NC(=O)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is UGIVQFAIGXHRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-2-21-13-5-3-4-10(13)15-14(18)9-6-7-11(16(19)20)12(17)8-9/h6-8,10,13,17H,2-5H2,1H3,(H,15,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide?
N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 310.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 103747794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).