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

C21H22N4O5S — CID 55765937

IUPAC2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C21H22N4O5S/c1-14-7-8-16(31(27,28)25-9-11-29-12-10-25)13-18(14)21(26)23-19-6-4-3-5-17(19)20-22-15(2)30-24-20/h3-8,13H,9-12H2,1-2H3,(H,23,26)
InChIKeyCUUKTJUIKIBGJR-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.63
Rot. Bonds5

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

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 55765937) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID55765937
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C21H22N4O5S/c1-14-7-8-16(31(27,28)25-9-11-29-12-10-25)13-18(14)21(26)23-19-6-4-3-5-17(19)20-22-15(2)30-24-20/h3-8,13H,9-12H2,1-2H3,(H,23,26)
InChIKeyCUUKTJUIKIBGJR-UHFFFAOYSA-N
XLogP2.63
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
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CID 43038678
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide
CID 56548355
2-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 34584461
2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
methyl 4-methyl-3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 26198226
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55700716
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide (CID 55765937) is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is Cc1nc(-c2ccccc2NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CUUKTJUIKIBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-14-7-8-16(31(27,28)25-9-11-29-12-10-25)13-18(14)21(26)23-19-6-4-3-5-17(19)20-22-15(2)30-24-20/h3-8,13H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 442.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55765937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).