N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide

C25H33NO3S — CID 170915645

IUPACN-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C25H33NO3S/c1-2-3-6-11-29-23-9-10-24(22-8-5-4-7-21(22)23)30(27,28)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-10,18-20,26H,2-3,6,11-17H2,1H3
InChIKeyKDLJELWGBJUNBO-UHFFFAOYSA-N
MW427.61 g/mol
LogP5.66
Rot. Bonds8

About N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide

N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide (PubChem CID 170915645) has the molecular formula C25H33NO3S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
PubChem CID170915645
Molecular FormulaC25H33NO3S
Molecular Weight427.61 g/mol
Exact Mass427.22
IUPAC NameN-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12
InChIInChI=1S/C25H33NO3S/c1-2-3-6-11-29-23-9-10-24(22-8-5-4-7-21(22)23)30(27,28)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-10,18-20,26H,2-3,6,11-17H2,1H3
InChIKeyKDLJELWGBJUNBO-UHFFFAOYSA-N
XLogP5.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 55.66
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

N-methyl-4-pentoxynaphthalene-1-sulfonamide
CID 50876527
N-(2-aminoethyl)-4-pentoxynaphthalene-1-sulfonamide
CID 164548551
4-pentoxy-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 16644990
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
1-[4-(4-pentoxynaphthalen-1-yl)sulfonylpiperazin-1-yl]ethanone
CID 16645251
4-butoxynaphthalene-1-sulfonamide
CID 43342503
1,4-didodecoxynaphthalene
CID 21304164
2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
CID 16645000
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498
4-propoxy-N-(2,4,4-trimethylpentan-2-yl)naphthalene-1-sulfonamide
CID 146145742
1,4-dibutoxynaphthalene
CID 22016411

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide?
The IUPAC name of N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide (CID 170915645) is N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide is CCCCCOc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide?
The InChIKey is KDLJELWGBJUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3S/c1-2-3-6-11-29-23-9-10-24(22-8-5-4-7-21(22)23)30(27,28)26-25-15-18-12-19(16-25)14-20(13-18)17-25/h4-5,7-10,18-20,26H,2-3,6,11-17H2,1H3.
What are the key properties of N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide?
N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide has a molecular weight of 427.61 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-pentoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 170915645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).