3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide

C24H19N3O4S — CID 53082477

IUPAC3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5ccccc5)no4)c(C)c3c2)c1
InChIInChI=1S/C24H19N3O4S/c1-15-7-6-10-18(13-15)27-32(28,29)19-11-12-21-20(14-19)16(2)22(30-21)24-25-23(26-31-24)17-8-4-3-5-9-17/h3-14,27H,1-2H3
InChIKeyXWIFMKRRNBYXHL-UHFFFAOYSA-N
MW445.50 g/mol
LogP5.57
Rot. Bonds5

About 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide

3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide (PubChem CID 53082477) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
PubChem CID53082477
Molecular FormulaC24H19N3O4S
Molecular Weight445.50 g/mol
Exact Mass445.11
IUPAC Name3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5ccccc5)no4)c(C)c3c2)c1
InChIInChI=1S/C24H19N3O4S/c1-15-7-6-10-18(13-15)27-32(28,29)19-11-12-21-20(14-19)16(2)22(30-21)24-25-23(26-31-24)17-8-4-3-5-9-17/h3-14,27H,1-2H3
InChIKeyXWIFMKRRNBYXHL-UHFFFAOYSA-N
XLogP5.57
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-(4-methylphenyl)-1-benzofuran-5-sulfonamide
CID 53082492
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-3-methyl-1-benzofuran-5-sulfonamide
CID 53082434
N,N-diethyl-3-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-benzofuran-5-sulfonamide
CID 53082397
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 138008041
5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53082466
4-[[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl]sulfonyl]morpholine
CID 53082444
3-(3-chlorophenyl)-5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 53082467
3-(3-chlorophenyl)-5-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-1-benzofuran-2-yl]-1,2,4-oxadiazole
CID 53043367
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[4-[[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 50839201
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
3,4-dichloro-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110418417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide (CID 53082477) is 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccc3oc(-c4nc(-c5ccccc5)no4)c(C)c3c2)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
The InChIKey is XWIFMKRRNBYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c1-15-7-6-10-18(13-15)27-32(28,29)19-11-12-21-20(14-19)16(2)22(30-21)24-25-23(26-31-24)17-8-4-3-5-9-17/h3-14,27H,1-2H3.
What are the key properties of 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide?
3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide has a molecular weight of 445.50 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 53082477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).