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

C27H34N4O8S — CID 4992936

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C27H34N4O8S/c1-6-35-22-13-20(14-23(36-7-2)24(22)37-8-3)26-29-30-27(39-26)28-25(32)19-9-11-21(12-10-19)40(33,34)31-15-17(4)38-18(5)16-31/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,28,30,32)
InChIKeyOMLLLARVANVWGJ-UHFFFAOYSA-N
MW574.66 g/mol
LogP3.98
Rot. Bonds11

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

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4992936) has the molecular formula C27H34N4O8S and a molecular weight of 574.66 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4992936
Molecular FormulaC27H34N4O8S
Molecular Weight574.66 g/mol
Exact Mass574.21
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C27H34N4O8S/c1-6-35-22-13-20(14-23(36-7-2)24(22)37-8-3)26-29-30-27(39-26)28-25(32)19-9-11-21(12-10-19)40(33,34)31-15-17(4)38-18(5)16-31/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,28,30,32)
InChIKeyOMLLLARVANVWGJ-UHFFFAOYSA-N
XLogP3.98
TPSA142.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.66
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2057755
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 25328609
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821630
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2159002
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051096
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4164190
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4228503
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973737
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25328763
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 3562308

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4992936) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is OMLLLARVANVWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O8S/c1-6-35-22-13-20(14-23(36-7-2)24(22)37-8-3)26-29-30-27(39-26)28-25(32)19-9-11-21(12-10-19)40(33,34)31-15-17(4)38-18(5)16-31/h9-14,17-18H,6-8,15-16H2,1-5H3,(H,28,30,32).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 574.66 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4992936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).