3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide

C21H26N2O4S — CID 8839491

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-4-17-8-5-6-11-20(17)22-21(24)18-9-7-10-19(12-18)28(25,26)23-13-15(2)27-16(3)14-23/h5-12,15-16H,4,13-14H2,1-3H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyVHAZVICAYYIQBD-HZPDHXFCSA-N
MW402.52 g/mol
LogP3.30
Rot. Bonds5

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

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide (PubChem CID 8839491) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
PubChem CID8839491
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1
InChIInChI=1S/C21H26N2O4S/c1-4-17-8-5-6-11-20(17)22-21(24)18-9-7-10-19(12-18)28(25,26)23-13-15(2)27-16(3)14-23/h5-12,15-16H,4,13-14H2,1-3H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyVHAZVICAYYIQBD-HZPDHXFCSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905232
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
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
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide (CID 8839491) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide?
The InChIKey is VHAZVICAYYIQBD-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-4-17-8-5-6-11-20(17)22-21(24)18-9-7-10-19(12-18)28(25,26)23-13-15(2)27-16(3)14-23/h5-12,15-16H,4,13-14H2,1-3H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide?
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 8839491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).