4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

C21H21FN4O5S — CID 2057755

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H21FN4O5S/c1-13-11-26(12-14(2)30-13)32(28,29)18-9-5-15(6-10-18)19(27)23-21-25-24-20(31-21)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25,27)/t13-,14-/m0/s1
InChIKeyAGMQPGLLSFSOOD-KBPBESRZSA-N
MW460.49 g/mol
LogP2.93
Rot. Bonds5

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2057755) has the molecular formula C21H21FN4O5S and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2057755
Molecular FormulaC21H21FN4O5S
Molecular Weight460.49 g/mol
Exact Mass460.12
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C[C@H](C)O1
InChIInChI=1S/C21H21FN4O5S/c1-13-11-26(12-14(2)30-13)32(28,29)18-9-5-15(6-10-18)19(27)23-21-25-24-20(31-21)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25,27)/t13-,14-/m0/s1
InChIKeyAGMQPGLLSFSOOD-KBPBESRZSA-N
XLogP2.93
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 25328609
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CID 25328763
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4992936
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051096
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3562308
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973737
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2057755) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is AGMQPGLLSFSOOD-KBPBESRZSA-N. The full InChI is InChI=1S/C21H21FN4O5S/c1-13-11-26(12-14(2)30-13)32(28,29)18-9-5-15(6-10-18)19(27)23-21-25-24-20(31-21)16-3-7-17(22)8-4-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,25,27)/t13-,14-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 460.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2057755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).