N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide

C24H31NO3S — CID 3605939

IUPACN-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C24H31NO3S/c1-2-28-22-7-8-23(21-6-4-3-5-20(21)22)29(26,27)25-10-9-24-14-17-11-18(15-24)13-19(12-17)16-24/h3-8,17-19,25H,2,9-16H2,1H3
InChIKeyQLDZZDWOIYBLLC-UHFFFAOYSA-N
MW413.58 g/mol
LogP5.12
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide

N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 3605939) has the molecular formula C24H31NO3S and a molecular weight of 413.58 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
PubChem CID3605939
Molecular FormulaC24H31NO3S
Molecular Weight413.58 g/mol
Exact Mass413.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C24H31NO3S/c1-2-28-22-7-8-23(21-6-4-3-5-20(21)22)29(26,27)25-10-9-24-14-17-11-18(15-24)13-19(12-17)16-24/h3-8,17-19,25H,2,9-16H2,1H3
InChIKeyQLDZZDWOIYBLLC-UHFFFAOYSA-N
XLogP5.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
CID 170915645
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
N-[2-(1-adamantyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 608453
N-(cyclohexen-1-ylmethyl)-4-ethoxynaphthalene-1-sulfonamide
CID 25248834
4-ethoxy-N-(piperidin-3-ylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 119968708
4-ethoxy-N-(2-methylphenyl)naphthalene-1-sulfonamide
CID 165435904
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
N-(2-phenylethyl)-4-propoxynaphthalene-1-sulfonamide
CID 25252533

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (CID 3605939) is N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c2ccccc12.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is QLDZZDWOIYBLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3S/c1-2-28-22-7-8-23(21-6-4-3-5-20(21)22)29(26,27)25-10-9-24-14-17-11-18(15-24)13-19(12-17)16-24/h3-8,17-19,25H,2,9-16H2,1H3.
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 413.58 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 3605939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).