4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide

C19H22N2O5S — CID 94696380

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)27(24,25)18-9-3-15(4-10-18)19(23)20-16-5-7-17(22)8-6-16/h3-10,13-14,22H,11-12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyCPUJUQXLNHYIMG-ZIAGYGMSSA-N
MW390.46 g/mol
LogP2.44
Rot. Bonds4

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide (PubChem CID 94696380) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
PubChem CID94696380
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2)C[C@@H](C)O1
InChIInChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)27(24,25)18-9-3-15(4-10-18)19(23)20-16-5-7-17(22)8-6-16/h3-10,13-14,22H,11-12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyCPUJUQXLNHYIMG-ZIAGYGMSSA-N
XLogP2.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]furan-3-carboxamide
CID 27018677
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 4182161
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41489399
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 27604230
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 7900282

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide (CID 94696380) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(O)cc3)cc2)C[C@@H](C)O1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide?
The InChIKey is CPUJUQXLNHYIMG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-11-21(12-14(2)26-13)27(24,25)18-9-3-15(4-10-18)19(23)20-16-5-7-17(22)8-6-16/h3-10,13-14,22H,11-12H2,1-2H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 94696380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).