N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C21H28N4O5S — CID 3562308

IUPACN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CCCCC4)o3)cc2)CC(C)O1
InChIInChI=1S/C21H28N4O5S/c1-14-12-25(13-15(2)29-14)31(27,28)18-10-8-16(9-11-18)19(26)22-21-24-23-20(30-21)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,22,24,26)
InChIKeyMXRMDMOIPXWPBM-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.17
Rot. Bonds5

About N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 3562308) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID3562308
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC NameN-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CCCCC4)o3)cc2)CC(C)O1
InChIInChI=1S/C21H28N4O5S/c1-14-12-25(13-15(2)29-14)31(27,28)18-10-8-16(9-11-18)19(26)22-21-24-23-20(30-21)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,22,24,26)
InChIKeyMXRMDMOIPXWPBM-UHFFFAOYSA-N
XLogP3.17
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-ylsulfonyl)-N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4574435
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051096
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2057755
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
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 25328609
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863030
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4992936

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 3562308) is N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4CCCCC4)o3)cc2)CC(C)O1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is MXRMDMOIPXWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-14-12-25(13-15(2)29-14)31(27,28)18-10-8-16(9-11-18)19(26)22-21-24-23-20(30-21)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3,(H,22,24,26).
What are the key properties of N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 448.55 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 3562308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).