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

C20H25NO3S — CID 1290165

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C20H25NO3S/c1-2-24-19-12-13-20(18-11-7-6-10-17(18)19)25(22,23)21-15-14-16-8-4-3-5-9-16/h6-8,10-13,21H,2-5,9,14-15H2,1H3
InChIKeyQTFHWNRJYIIXNB-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.41
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 1290165) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
PubChem CID1290165
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C20H25NO3S/c1-2-24-19-12-13-20(18-11-7-6-10-17(18)19)25(22,23)21-15-14-16-8-4-3-5-9-16/h6-8,10-13,21H,2-5,9,14-15H2,1H3
InChIKeyQTFHWNRJYIIXNB-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide (CID 1290165) is N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)c2ccccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is QTFHWNRJYIIXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-2-24-19-12-13-20(18-11-7-6-10-17(18)19)25(22,23)21-15-14-16-8-4-3-5-9-16/h6-8,10-13,21H,2-5,9,14-15H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 359.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 1290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).