N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide

C18H28N2O3S — CID 55662696

IUPACN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C18H28N2O3S/c1-2-3-4-5-6-11-18(21)19-13-15-24(22,23)20-14-12-16-9-7-8-10-17(16)20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyOULIHNFVLZYGPC-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.86
Rot. Bonds10

About N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide (PubChem CID 55662696) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
PubChem CID55662696
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
SMILESCCCCCCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C18H28N2O3S/c1-2-3-4-5-6-11-18(21)19-13-15-24(22,23)20-14-12-16-9-7-8-10-17(16)20/h7-10H,2-6,11-15H2,1H3,(H,19,21)
InChIKeyOULIHNFVLZYGPC-UHFFFAOYSA-N
XLogP2.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-pentylguanidine
CID 111129065
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-5-(2,5-dimethylphenoxy)pentanamide
CID 60584916
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methoxypropyl)propanamide
CID 110343036
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 47029289
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
CID 154775188
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111226329
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55662815
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
CID 5114863
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55762289
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110343053

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide (CID 55662696) is N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide is CCCCCCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide?
The InChIKey is OULIHNFVLZYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-2-3-4-5-6-11-18(21)19-13-15-24(22,23)20-14-12-16-9-7-8-10-17(16)20/h7-10H,2-6,11-15H2,1H3,(H,19,21).
What are the key properties of N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide?
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide has a molecular weight of 352.50 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide is sourced from PubChem (CID 55662696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).