3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide

C16H24N2OS — CID 107329607

IUPAC3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
SMILESCCSC1CCC(NC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H24N2OS/c1-2-20-14-9-8-13(11-14)18-16(19)10-7-12-5-3-4-6-15(12)17/h3-6,13-14H,2,7-11,17H2,1H3,(H,18,19)
InChIKeyJKGLSZAYBMAERH-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.99
Rot. Bonds6

About 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide

3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide (PubChem CID 107329607) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
PubChem CID107329607
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide
SMILESCCSC1CCC(NC(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H24N2OS/c1-2-20-14-9-8-13(11-14)18-16(19)10-7-12-5-3-4-6-15(12)17/h3-6,13-14H,2,7-11,17H2,1H3,(H,18,19)
InChIKeyJKGLSZAYBMAERH-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(3-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 120611790
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 120608522
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-(3-hydroxyphenyl)acetamide
CID 95990381
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 120608500
3-(2-aminophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 120608479
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide (CID 107329607) is 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide is CCSC1CCC(NC(=O)CCc2ccccc2N)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide?
The InChIKey is JKGLSZAYBMAERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-2-20-14-9-8-13(11-14)18-16(19)10-7-12-5-3-4-6-15(12)17/h3-6,13-14H,2,7-11,17H2,1H3,(H,18,19).
What are the key properties of 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide?
3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide has a molecular weight of 292.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(3-ethylsulfanylcyclopentyl)propanamide is sourced from PubChem (CID 107329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).