3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide

C20H27N3O5S — CID 25048133

IUPAC3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide
SMILESCCN(CC)C1=C(S(=O)(=O)NCCN2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H27N3O5S/c1-3-23(4-2)17-18(24)15-7-5-6-8-16(15)19(25)20(17)29(26,27)21-9-10-22-11-13-28-14-12-22/h5-8,21H,3-4,9-14H2,1-2H3
InChIKeyBVTAMOLOGUIHDV-UHFFFAOYSA-N
MW421.52 g/mol
LogP0.87
Rot. Bonds8

About 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide

3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide (PubChem CID 25048133) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide.

Molecular Properties

Compound Name3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide
PubChem CID25048133
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide
SMILESCCN(CC)C1=C(S(=O)(=O)NCCN2CCOCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H27N3O5S/c1-3-23(4-2)17-18(24)15-7-5-6-8-16(15)19(25)20(17)29(26,27)21-9-10-22-11-13-28-14-12-22/h5-8,21H,3-4,9-14H2,1-2H3
InChIKeyBVTAMOLOGUIHDV-UHFFFAOYSA-N
XLogP0.87
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25041252
1-(2-morpholin-4-ylethylamino)anthracene-9,10-dione
CID 3959118
2-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 81242131
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 46110376
ethane;1-fluoro-4-(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
CID 144958240
5-amino-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-sulfonamide
CID 63977723
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 11705027

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide?
The IUPAC name of 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide (CID 25048133) is 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide.
What is the SMILES notation for 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide?
The canonical SMILES for 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide is CCN(CC)C1=C(S(=O)(=O)NCCN2CCOCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide?
The InChIKey is BVTAMOLOGUIHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-3-23(4-2)17-18(24)15-7-5-6-8-16(15)19(25)20(17)29(26,27)21-9-10-22-11-13-28-14-12-22/h5-8,21H,3-4,9-14H2,1-2H3.
What are the key properties of 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide?
3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide has a molecular weight of 421.52 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide is sourced from PubChem (CID 25048133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).