3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide

C18H21N3O4S — CID 35034712

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C[C@@H](C)O1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)26(23,24)16-7-5-6-15(10-16)18(22)20-17-8-3-4-9-19-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20,22)/t13-,14-/m1/s1
InChIKeyQZCHRCURZRMCOO-ZIAGYGMSSA-N
MW375.45 g/mol
LogP2.13
Rot. Bonds4

About 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 35034712) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
PubChem CID35034712
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C[C@@H](C)O1
InChIInChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)26(23,24)16-7-5-6-15(10-16)18(22)20-17-8-3-4-9-19-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20,22)/t13-,14-/m1/s1
InChIKeyQZCHRCURZRMCOO-ZIAGYGMSSA-N
XLogP2.13
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 92535118
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methylimidazo[4,5-b]pyridin-2-yl)benzamide
CID 102561684
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
N'-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]pyridine-3-carbohydrazide
CID 43002278
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide (CID 35034712) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide is C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccn3)c2)C[C@@H](C)O1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is QZCHRCURZRMCOO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-11-21(12-14(2)25-13)26(23,24)16-7-5-6-15(10-16)18(22)20-17-8-3-4-9-19-17/h3-10,13-14H,11-12H2,1-2H3,(H,19,20,22)/t13-,14-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide?
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35034712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).