N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide

C18H30N2O5S — CID 55521871

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C18H30N2O5S/c1-5-23-17-8-7-16(11-18(17)24-6-2)26(21,22)19-9-10-20-12-14(3)25-15(4)13-20/h7-8,11,14-15,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyLHLNIDSTEIRMLC-UHFFFAOYSA-N
MW386.51 g/mol
LogP1.87
Rot. Bonds9

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 55521871) has the molecular formula C18H30N2O5S and a molecular weight of 386.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
PubChem CID55521871
Molecular FormulaC18H30N2O5S
Molecular Weight386.51 g/mol
Exact Mass386.19
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN2CC(C)OC(C)C2)cc1OCC
InChIInChI=1S/C18H30N2O5S/c1-5-23-17-8-7-16(11-18(17)24-6-2)26(21,22)19-9-10-20-12-14(3)25-15(4)13-20/h7-8,11,14-15,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyLHLNIDSTEIRMLC-UHFFFAOYSA-N
XLogP1.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 47114338
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55520974
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-4-ethoxynaphthalene-1-sulfonamide
CID 47071849
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-[2-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 55629295
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 55520811

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide (CID 55521871) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN2CC(C)OC(C)C2)cc1OCC.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is LHLNIDSTEIRMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5S/c1-5-23-17-8-7-16(11-18(17)24-6-2)26(21,22)19-9-10-20-12-14(3)25-15(4)13-20/h7-8,11,14-15,19H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 386.51 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 55521871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).