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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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).