3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide

C23H22N4O3S — CID 60535037

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NCc2nc(Cc3ccccc3)no2)c1
InChIInChI=1S/C23H22N4O3S/c1-27(20-12-6-3-7-13-20)31(28,29)21-14-8-11-19(16-21)24-17-23-25-22(26-30-23)15-18-9-4-2-5-10-18/h2-14,16,24H,15,17H2,1H3
InChIKeyYRODGTIXJDWNHH-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.10
Rot. Bonds8

About 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 60535037) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide
PubChem CID60535037
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NCc2nc(Cc3ccccc3)no2)c1
InChIInChI=1S/C23H22N4O3S/c1-27(20-12-6-3-7-13-20)31(28,29)21-14-8-11-19(16-21)24-17-23-25-22(26-30-23)15-18-9-4-2-5-10-18/h2-14,16,24H,15,17H2,1H3
InChIKeyYRODGTIXJDWNHH-UHFFFAOYSA-N
XLogP4.10
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 60535578
N-methyl-N-[4-[[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl]phenyl]benzenesulfonamide
CID 156903066
2-benzyl-4-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 39901427
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-methoxyethyl)aniline
CID 75378220
3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919559
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
N-[(4-fluorophenyl)methyl]-N-methyl-2-[3-[methyl(phenyl)sulfamoyl]anilino]acetamide
CID 78793210
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylnaphthalen-1-amine
CID 60572803
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide (CID 60535037) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NCc2nc(Cc3ccccc3)no2)c1.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is YRODGTIXJDWNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-27(20-12-6-3-7-13-20)31(28,29)21-14-8-11-19(16-21)24-17-23-25-22(26-30-23)15-18-9-4-2-5-10-18/h2-14,16,24H,15,17H2,1H3.
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 60535037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).