5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide

C22H30N2O2S — CID 162639530

IUPAC5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C22H30N2O2S/c1-17(2)8-6-9-18(3)14-15-23-27(25,26)20-12-13-21-19(16-20)10-7-11-22(21)24(4)5/h7-8,10-14,16,23H,6,9,15H2,1-5H3/b18-14+
InChIKeyMKUXYBXOOYOHHN-NBVRZTHBSA-N
MW386.56 g/mol
LogP4.88
Rot. Bonds8

About 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide

5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide (PubChem CID 162639530) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide
PubChem CID162639530
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide
SMILESCC(C)=CCC/C(C)=C/CNS(=O)(=O)c1ccc2c(N(C)C)cccc2c1
InChIInChI=1S/C22H30N2O2S/c1-17(2)8-6-9-18(3)14-15-23-27(25,26)20-12-13-21-19(16-20)10-7-11-22(21)24(4)5/h7-8,10-14,16,23H,6,9,15H2,1-5H3/b18-14+
InChIKeyMKUXYBXOOYOHHN-NBVRZTHBSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzenesulfonamide
CID 162639468
6-amino-N-(3-methylbut-2-enyl)naphthalene-1-sulfonamide
CID 106191063
N,N-dimethylnaphthalen-1-amine;sulfuric acid
CID 159908177
3-bromo-4-chloro-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 106546881
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
methyl 1-[5-(dimethylamino)naphthalen-2-yl]sulfonylaziridine-2-carboxylate
CID 154726937
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(3-sulfamoylphenyl)urea
CID 72932746
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
N-[(2E,6E)-2,6-dimethylocta-2,6-dienyl]-4-methylbenzenesulfonamide
CID 101397381
[(2Z,5E)-6,10-dimethylundeca-2,5,9-trien-3-yl]sulfonylbenzene
CID 58409827
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide (CID 162639530) is 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide is CC(C)=CCC/C(C)=C/CNS(=O)(=O)c1ccc2c(N(C)C)cccc2c1.
What is the InChIKey of 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide?
The InChIKey is MKUXYBXOOYOHHN-NBVRZTHBSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-17(2)8-6-9-18(3)14-15-23-27(25,26)20-12-13-21-19(16-20)10-7-11-22(21)24(4)5/h7-8,10-14,16,23H,6,9,15H2,1-5H3/b18-14+.
What are the key properties of 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide?
5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide has a molecular weight of 386.56 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 162639530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).