2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

C24H26N4O4S — CID 95116339

IUPAC2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H26N4O4S/c1-16-11-12-18(22-25-23(32-26-22)24(29)28-13-4-5-14-28)15-21(16)33(30,31)27-20-10-6-8-17-7-2-3-9-19(17)20/h2-3,7,9,11-12,15,20,27H,4-6,8,10,13-14H2,1H3/t20-/m1/s1
InChIKeyQLZZROSPDCLHBU-HXUWFJFHSA-N
MW466.56 g/mol
LogP3.64
Rot. Bonds5

About 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide

2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (PubChem CID 95116339) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
PubChem CID95116339
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H26N4O4S/c1-16-11-12-18(22-25-23(32-26-22)24(29)28-13-4-5-14-28)15-21(16)33(30,31)27-20-10-6-8-17-7-2-3-9-19(17)20/h2-3,7,9,11-12,15,20,27H,4-6,8,10,13-14H2,1H3/t20-/m1/s1
InChIKeyQLZZROSPDCLHBU-HXUWFJFHSA-N
XLogP3.64
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide (CID 95116339) is 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
The InChIKey is QLZZROSPDCLHBU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-16-11-12-18(22-25-23(32-26-22)24(29)28-13-4-5-14-28)15-21(16)33(30,31)27-20-10-6-8-17-7-2-3-9-19(17)20/h2-3,7,9,11-12,15,20,27H,4-6,8,10,13-14H2,1H3/t20-/m1/s1.
What are the key properties of 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide?
2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 95116339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).