1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide

C22H30N2O4S — CID 5301264

IUPAC1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C22H30N2O4S/c1-15(25)24-6-4-19-11-20(2-3-21(19)24)29(26,27)23-5-7-28-22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18,23H,4-10,12-14H2,1H3
InChIKeyMURVEEXVRVBIDF-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.86
Rot. Bonds6

About 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 5301264) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID5301264
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21
InChIInChI=1S/C22H30N2O4S/c1-15(25)24-6-4-19-11-20(2-3-21(19)24)29(26,27)23-5-7-28-22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18,23H,4-10,12-14H2,1H3
InChIKeyMURVEEXVRVBIDF-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 30365992
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974086
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 5301264) is 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCOC34CC5CC(CC(C5)C3)C4)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MURVEEXVRVBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15(25)24-6-4-19-11-20(2-3-21(19)24)29(26,27)23-5-7-28-22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18,23H,4-10,12-14H2,1H3.
What are the key properties of 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 418.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(1-adamantyloxy)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 5301264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).