N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

C20H24N2O5S — CID 1008028

IUPACN-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-21(15-17-5-3-2-4-6-17)28(24,25)19-9-7-18(8-10-19)27-16-20(23)22-11-13-26-14-12-22/h2-10H,11-16H2,1H3
InChIKeyYEDIAVNBNBFDDY-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.74
Rot. Bonds7

About N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide

N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (PubChem CID 1008028) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
PubChem CID1008028
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H24N2O5S/c1-21(15-17-5-3-2-4-6-17)28(24,25)19-9-7-18(8-10-19)27-16-20(23)22-11-13-26-14-12-22/h2-10H,11-16H2,1H3
InChIKeyYEDIAVNBNBFDDY-UHFFFAOYSA-N
XLogP1.74
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide (CID 1008028) is N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
The InChIKey is YEDIAVNBNBFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(15-17-5-3-2-4-6-17)28(24,25)19-9-7-18(8-10-19)27-16-20(23)22-11-13-26-14-12-22/h2-10H,11-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide?
N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide is sourced from PubChem (CID 1008028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).