N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

C22H30N4O5S — CID 53055565

IUPACN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(CCc1noc(C2CCCCC2)n1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O5S/c1-25(12-11-20-23-21(31-24-20)17-5-3-2-4-6-17)22(27)18-7-9-19(10-8-18)32(28,29)26-13-15-30-16-14-26/h7-10,17H,2-6,11-16H2,1H3
InChIKeyDWEJMFMCSRABDV-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 53055565) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID53055565
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCN(CCc1noc(C2CCCCC2)n1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O5S/c1-25(12-11-20-23-21(31-24-20)17-5-3-2-4-6-17)22(27)18-7-9-19(10-8-18)32(28,29)26-13-15-30-16-14-26/h7-10,17H,2-6,11-16H2,1H3
InChIKeyDWEJMFMCSRABDV-UHFFFAOYSA-N
XLogP2.45
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide with MolForge

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Related Compounds

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 72912208
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8855114
N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4646426
3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
CID 53055086
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 30278785
[4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 1453664
N-(cyclopentylmethyl)-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60603204
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 121093018

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide (CID 53055565) is N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is CN(CCc1noc(C2CCCCC2)n1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DWEJMFMCSRABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-25(12-11-20-23-21(31-24-20)17-5-3-2-4-6-17)22(27)18-7-9-19(10-8-18)32(28,29)26-13-15-30-16-14-26/h7-10,17H,2-6,11-16H2,1H3.
What are the key properties of N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 53055565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).