N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide

C21H30N2O4S — CID 47071849

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H30N2O4S/c1-4-26-20-10-11-21(19-9-6-5-8-18(19)20)28(24,25)22-12-7-13-23-14-16(2)27-17(3)15-23/h5-6,8-11,16-17,22H,4,7,12-15H2,1-3H3
InChIKeyRJJLBVWMYCQSDB-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.02
Rot. Bonds8

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide (PubChem CID 47071849) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
PubChem CID47071849
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C21H30N2O4S/c1-4-26-20-10-11-21(19-9-6-5-8-18(19)20)28(24,25)22-12-7-13-23-14-16(2)27-17(3)15-23/h5-6,8-11,16-17,22H,4,7,12-15H2,1-3H3
InChIKeyRJJLBVWMYCQSDB-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.02
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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Related Compounds

N-(4-aminobutyl)-4-ethoxynaphthalene-1-sulfonamide
CID 120583247
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 51330970
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
CID 126478575
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
2,6-dimethyl-4-(4-pentoxynaphthalen-1-yl)sulfonylmorpholine
CID 16645000
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
4-ethoxy-2,3-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 16644712
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
ethyl 3-bromo-4-[3-(2,6-dimethylmorpholin-4-yl)propylsulfamoyl]benzoate
CID 55573442
N-tert-butyl-4-ethoxynaphthalene-1-sulfonamide
CID 66485755
5-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylbenzenesulfonamide
CID 55603646

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide (CID 47071849) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide is CCOc1ccc(S(=O)(=O)NCCCN2CC(C)OC(C)C2)c2ccccc12.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide?
The InChIKey is RJJLBVWMYCQSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-4-26-20-10-11-21(19-9-6-5-8-18(19)20)28(24,25)22-12-7-13-23-14-16(2)27-17(3)15-23/h5-6,8-11,16-17,22H,4,7,12-15H2,1-3H3.
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide has a molecular weight of 406.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 47071849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).