N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide

C20H25N3O5S — CID 3826695

IUPACN-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(OCC2CN(C(=O)CN(C)S(=O)(=O)c3ccccc3)CCO2)cn1
InChIInChI=1S/C20H25N3O5S/c1-16-8-9-17(12-21-16)28-15-18-13-23(10-11-27-18)20(24)14-22(2)29(25,26)19-6-4-3-5-7-19/h3-9,12,18H,10-11,13-15H2,1-2H3
InChIKeyOBTWSFCZSLOLGX-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.32
Rot. Bonds7

About N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide

N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 3826695) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID3826695
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide
SMILESCc1ccc(OCC2CN(C(=O)CN(C)S(=O)(=O)c3ccccc3)CCO2)cn1
InChIInChI=1S/C20H25N3O5S/c1-16-8-9-17(12-21-16)28-15-18-13-23(10-11-27-18)20(24)14-22(2)29(25,26)19-6-4-3-5-7-19/h3-9,12,18H,10-11,13-15H2,1-2H3
InChIKeyOBTWSFCZSLOLGX-UHFFFAOYSA-N
XLogP1.32
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide (CID 3826695) is N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide is Cc1ccc(OCC2CN(C(=O)CN(C)S(=O)(=O)c3ccccc3)CCO2)cn1.
What is the InChIKey of N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is OBTWSFCZSLOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-16-8-9-17(12-21-16)28-15-18-13-23(10-11-27-18)20(24)14-22(2)29(25,26)19-6-4-3-5-7-19/h3-9,12,18H,10-11,13-15H2,1-2H3.
What are the key properties of N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide?
N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 419.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 3826695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).