3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

C19H23N3O4S — CID 3712018

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC(C)O1
InChIInChI=1S/C19H23N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)18-8-5-6-16(10-18)19(23)21-11-17-7-3-4-9-20-17/h3-10,14-15H,11-13H2,1-2H3,(H,21,23)
InChIKeyHSXAHMMWQOCWHK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.81
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 3712018) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID3712018
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC(C)O1
InChIInChI=1S/C19H23N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)18-8-5-6-16(10-18)19(23)21-11-17-7-3-4-9-20-17/h3-10,14-15H,11-13H2,1-2H3,(H,21,23)
InChIKeyHSXAHMMWQOCWHK-UHFFFAOYSA-N
XLogP1.81
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
6-Methyl-N-[2-(toluene-4-sulfonylamino)-ethyl]-nicotinamide
CID 6498635
3-[(4-methylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide;hydrochloride
CID 25162958
4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912990
4-[[(4-morpholin-4-ylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50913283
4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide
CID 50914609
4-[(4-methylbenzenesulfonamido)methyl]-N-(pyridin-3-yl)benzamide
CID 50914751
N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
CID 59673077
(S)-N-(1-((4-(N-(tert-Butyl)sulfamoyl)phenyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamide
CID 146014130

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 3712018) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccccn3)c2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HSXAHMMWQOCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-12-22(13-15(2)26-14)27(24,25)18-8-5-6-16(10-18)19(23)21-11-17-7-3-4-9-20-17/h3-10,14-15H,11-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 3712018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).