4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide

C18H24N2O4S — CID 652874

IUPAC4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H24N2O4S/c1-23-17-7-8-18(16-6-3-2-5-15(16)17)25(21,22)19-9-4-10-20-11-13-24-14-12-20/h2-3,5-8,19H,4,9-14H2,1H3
InChIKeySVBAYPMEKZXNEO-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.85
Rot. Bonds7

About 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide

4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide (PubChem CID 652874) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide
PubChem CID652874
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C18H24N2O4S/c1-23-17-7-8-18(16-6-3-2-5-15(16)17)25(21,22)19-9-4-10-20-11-13-24-14-12-20/h2-3,5-8,19H,4,9-14H2,1H3
InChIKeySVBAYPMEKZXNEO-UHFFFAOYSA-N
XLogP1.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide (CID 652874) is 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12.
What is the InChIKey of 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide?
The InChIKey is SVBAYPMEKZXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-17-7-8-18(16-6-3-2-5-15(16)17)25(21,22)19-9-4-10-20-11-13-24-14-12-20/h2-3,5-8,19H,4,9-14H2,1H3.
What are the key properties of 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide?
4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 652874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).