N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C18H28N2O6S — CID 12650122

IUPACN,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O6S/c1-5-20(6-2)27(22,23)17-13-16(25-4)15(24-3)11-14(17)12-18(21)19-7-9-26-10-8-19/h11,13H,5-10,12H2,1-4H3
InChIKeyUXTZOJITSZFNGS-UHFFFAOYSA-N
MW400.50 g/mol
LogP1.14
Rot. Bonds8

About N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 12650122) has the molecular formula C18H28N2O6S and a molecular weight of 400.50 g/mol. Its IUPAC name is N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID12650122
Molecular FormulaC18H28N2O6S
Molecular Weight400.50 g/mol
Exact Mass400.17
IUPAC NameN,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)N1CCOCC1
InChIInChI=1S/C18H28N2O6S/c1-5-20(6-2)27(22,23)17-13-16(25-4)15(24-3)11-14(17)12-18(21)19-7-9-26-10-8-19/h11,13H,5-10,12H2,1-4H3
InChIKeyUXTZOJITSZFNGS-UHFFFAOYSA-N
XLogP1.14
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
4,5-dimethoxy-2-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonyl chloride
CID 46741506
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
(2-morpholin-4-yl-2-oxoethyl) 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530031
N,N-diethyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 60744825
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
2,5-dimethoxy-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1022064
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55337309
N-benzyl-2-methoxy-5-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 2217894
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
N-ethyl-2-methoxy-5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 2986189
3-chloro-N-ethyl-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 92645686

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 12650122) is N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)N1CCOCC1.
What is the InChIKey of N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is UXTZOJITSZFNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O6S/c1-5-20(6-2)27(22,23)17-13-16(25-4)15(24-3)11-14(17)12-18(21)19-7-9-26-10-8-19/h11,13H,5-10,12H2,1-4H3.
What are the key properties of N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 1.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,5-dimethoxy-2-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 12650122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).