N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C20H26N2O5S — CID 86950413

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(C)o1
InChIInChI=1S/C20H26N2O5S/c1-13-9-18(16(4)27-13)10-21-20(23)17-5-7-19(8-6-17)28(24,25)22-11-14(2)26-15(3)12-22/h5-9,14-15H,10-12H2,1-4H3,(H,21,23)
InChIKeyVWIYHEUWSMRARI-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.62
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 86950413) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID86950413
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(C)o1
InChIInChI=1S/C20H26N2O5S/c1-13-9-18(16(4)27-13)10-21-20(23)17-5-7-19(8-6-17)28(24,25)22-11-14(2)26-15(3)12-22/h5-9,14-15H,10-12H2,1-4H3,(H,21,23)
InChIKeyVWIYHEUWSMRARI-UHFFFAOYSA-N
XLogP2.62
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
N-[(3-chlorophenyl)methyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7959306
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3144396
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119643540

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 86950413) is N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is VWIYHEUWSMRARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-13-9-18(16(4)27-13)10-21-20(23)17-5-7-19(8-6-17)28(24,25)22-11-14(2)26-15(3)12-22/h5-9,14-15H,10-12H2,1-4H3,(H,21,23).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 406.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 86950413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).