2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

C24H23N3O5S — CID 124807841

IUPAC2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3noc([C@@H]4[C@@H]5C[C@@H]6[C@H]4C(=O)O[C@H]6C5)n3)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-12-3-7-16(8-4-12)27-33(29,30)19-11-14(6-5-13(19)2)22-25-23(32-26-22)20-15-9-17-18(10-15)31-24(28)21(17)20/h3-8,11,15,17-18,20-21,27H,9-10H2,1-2H3/t15-,17+,18+,20-,21-/m1/s1
InChIKeyZRZYLSBKJGTGHZ-LFERKSGWSA-N
MW465.53 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide

2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (PubChem CID 124807841) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
PubChem CID124807841
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Name2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3noc([C@@H]4[C@@H]5C[C@@H]6[C@H]4C(=O)O[C@H]6C5)n3)ccc2C)cc1
InChIInChI=1S/C24H23N3O5S/c1-12-3-7-16(8-4-12)27-33(29,30)19-11-14(6-5-13(19)2)22-25-23(32-26-22)20-15-9-17-18(10-15)31-24(28)21(17)20/h3-8,11,15,17-18,20-21,27H,9-10H2,1-2H3/t15-,17+,18+,20-,21-/m1/s1
InChIKeyZRZYLSBKJGTGHZ-LFERKSGWSA-N
XLogP3.82
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide with MolForge

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Related Compounds

(1R,3S,6R,7R,9R)-9-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 98533897
(1R,3R,6R,7R,9R)-9-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 51683642
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365724
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 53205187
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-phenylbenzenesulfonamide
CID 53042694
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46365752
N-(3-chloro-4-methylphenyl)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonamide
CID 46365775
N-[4-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823113
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53042877
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
CID 92895603
N-(3-methoxyphenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 46365695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide (CID 124807841) is 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3noc([C@@H]4[C@@H]5C[C@@H]6[C@H]4C(=O)O[C@H]6C5)n3)ccc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
The InChIKey is ZRZYLSBKJGTGHZ-LFERKSGWSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-12-3-7-16(8-4-12)27-33(29,30)19-11-14(6-5-13(19)2)22-25-23(32-26-22)20-15-9-17-18(10-15)31-24(28)21(17)20/h3-8,11,15,17-18,20-21,27H,9-10H2,1-2H3/t15-,17+,18+,20-,21-/m1/s1.
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide?
2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide has a molecular weight of 465.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-[5-[(1R,3S,6R,7R,9R)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 124807841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).