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

C22H30N4O5S — CID 55672473

IUPAC2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CCCCCC2)no1
InChIInChI=1S/C22H30N4O5S/c1-16-7-8-18(32(28,29)26-11-13-30-14-12-26)15-19(16)20(27)24-22(9-5-3-4-6-10-22)21-23-17(2)31-25-21/h7-8,15H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyLNVJPBNOGZKTAS-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.69
Rot. Bonds5

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

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55672473) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55672473
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CCCCCC2)no1
InChIInChI=1S/C22H30N4O5S/c1-16-7-8-18(32(28,29)26-11-13-30-14-12-26)15-19(16)20(27)24-22(9-5-3-4-6-10-22)21-23-17(2)31-25-21/h7-8,15H,3-6,9-14H2,1-2H3,(H,24,27)
InChIKeyLNVJPBNOGZKTAS-UHFFFAOYSA-N
XLogP2.69
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55622510
2-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55528408
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55520393
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 56548355
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55622088
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948596
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
1-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55672473) is 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1nc(C2(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)CCCCCC2)no1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is LNVJPBNOGZKTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-16-7-8-18(32(28,29)26-11-13-30-14-12-26)15-19(16)20(27)24-22(9-5-3-4-6-10-22)21-23-17(2)31-25-21/h7-8,15H,3-6,9-14H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 462.57 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55672473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).