3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide

C26H30N4O4S — CID 55710370

IUPAC3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cn2)CC(C)O1
InChIInChI=1S/C26H30N4O4S/c1-19-17-30(18-20(2)34-19)25-12-11-22(14-27-25)15-28-26(31)23-9-6-10-24(13-23)35(32,33)29-16-21-7-4-3-5-8-21/h3-14,19-20,29H,15-18H2,1-2H3,(H,28,31)
InChIKeyTUAVKATUPQPQQH-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.10
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide

3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 55710370) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID55710370
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCC1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cn2)CC(C)O1
InChIInChI=1S/C26H30N4O4S/c1-19-17-30(18-20(2)34-19)25-12-11-22(14-27-25)15-28-26(31)23-9-6-10-24(13-23)35(32,33)29-16-21-7-4-3-5-8-21/h3-14,19-20,29H,15-18H2,1-2H3,(H,28,31)
InChIKeyTUAVKATUPQPQQH-UHFFFAOYSA-N
XLogP3.10
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55709763
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55749828
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
CID 55844468
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55722359
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55814619
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-phenylpropanamide
CID 55710399
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55777031
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide (CID 55710370) is 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide is CC1CN(c2ccc(CNC(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)cn2)CC(C)O1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is TUAVKATUPQPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-19-17-30(18-20(2)34-19)25-12-11-22(14-27-25)15-28-26(31)23-9-6-10-24(13-23)35(32,33)29-16-21-7-4-3-5-8-21/h3-14,19-20,29H,15-18H2,1-2H3,(H,28,31).
What are the key properties of 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide?
3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 494.62 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 55710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).