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

C23H21N3O4S — CID 24609007

IUPACN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2nnc(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)o2)cc1
InChIInChI=1S/C23H21N3O4S/c1-17-7-6-10-21(15-17)31(27,28)26(19-8-4-3-5-9-19)16-22-24-25-23(30-22)18-11-13-20(29-2)14-12-18/h3-15H,16H2,1-2H3
InChIKeyYOYMWIXBOBQOAR-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.45
Rot. Bonds7

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

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide (PubChem CID 24609007) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide
PubChem CID24609007
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(-c2nnc(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)o2)cc1
InChIInChI=1S/C23H21N3O4S/c1-17-7-6-10-21(15-17)31(27,28)26(19-8-4-3-5-9-19)16-22-24-25-23(30-22)18-11-13-20(29-2)14-12-18/h3-15H,16H2,1-2H3
InChIKeyYOYMWIXBOBQOAR-UHFFFAOYSA-N
XLogP4.45
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-(4-methylphenoxy)ethanamine
CID 34722034
N-(3,4-dimethoxyphenyl)-3-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841888
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
N-[(4-fluorophenyl)methyl]-3-methyl-N-phenylbenzenesulfonamide
CID 46023035
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(N-(3-methylphenyl)sulfonylanilino)acetamide
CID 78881152
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419
N-benzyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 78826523
N-[(3,5-dimethoxyphenyl)methyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 46021875
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 42841912

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide (CID 24609007) is N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide is COc1ccc(-c2nnc(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)o2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide?
The InChIKey is YOYMWIXBOBQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-17-7-6-10-21(15-17)31(27,28)26(19-8-4-3-5-9-19)16-22-24-25-23(30-22)18-11-13-20(29-2)14-12-18/h3-15H,16H2,1-2H3.
What are the key properties of N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide?
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 24609007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).