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

C18H24N4O5S — CID 56548355

IUPAC2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C(C)(C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C18H24N4O5S/c1-12-5-6-14(28(24,25)22-7-9-26-10-8-22)11-15(12)16(23)20-18(3,4)17-19-13(2)27-21-17/h5-6,11H,7-10H2,1-4H3,(H,20,23)
InChIKeyDTRMKDOCIYELER-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.37
Rot. Bonds5

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

2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 56548355) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide
PubChem CID56548355
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1nc(C(C)(C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)no1
InChIInChI=1S/C18H24N4O5S/c1-12-5-6-14(28(24,25)22-7-9-26-10-8-22)11-15(12)16(23)20-18(3,4)17-19-13(2)27-21-17/h5-6,11H,7-10H2,1-4H3,(H,20,23)
InChIKeyDTRMKDOCIYELER-UHFFFAOYSA-N
XLogP1.37
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55672473
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55765937
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
3-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 23761201
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
N-(2-acetylphenyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 8749628
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55622510
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 9395287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide (CID 56548355) is 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide is Cc1nc(C(C)(C)NC(=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)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is DTRMKDOCIYELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-12-5-6-14(28(24,25)22-7-9-26-10-8-22)11-15(12)16(23)20-18(3,4)17-19-13(2)27-21-17/h5-6,11H,7-10H2,1-4H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide?
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 1.37, 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)propan-2-yl]-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 56548355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).