2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

C22H26N4O4S — CID 56568526

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1c(C)cccc1-c1nc(C(C)C)no1)S(C)(=O)=O
InChIInChI=1S/C22H26N4O4S/c1-14(2)21-24-22(30-25-21)17-11-8-10-16(4)20(17)23-19(27)13-26(31(5,28)29)18-12-7-6-9-15(18)3/h6-12,14H,13H2,1-5H3,(H,23,27)
InChIKeyJXKBLKCDGKVENJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.88
Rot. Bonds7

About 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (PubChem CID 56568526) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
PubChem CID56568526
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
SMILESCc1ccccc1N(CC(=O)Nc1c(C)cccc1-c1nc(C(C)C)no1)S(C)(=O)=O
InChIInChI=1S/C22H26N4O4S/c1-14(2)21-24-22(30-25-21)17-11-8-10-16(4)20(17)23-19(27)13-26(31(5,28)29)18-12-7-6-9-15(18)3/h6-12,14H,13H2,1-5H3,(H,23,27)
InChIKeyJXKBLKCDGKVENJ-UHFFFAOYSA-N
XLogP3.88
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568562
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30258400
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
N-(2,6-dimethylphenyl)-2-[methyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]acetamide
CID 133334438
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(2-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 1372880
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157819
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30969500
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide (CID 56568526) is 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is Cc1ccccc1N(CC(=O)Nc1c(C)cccc1-c1nc(C(C)C)no1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
The InChIKey is JXKBLKCDGKVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-14(2)21-24-22(30-25-21)17-11-8-10-16(4)20(17)23-19(27)13-26(31(5,28)29)18-12-7-6-9-15(18)3/h6-12,14H,13H2,1-5H3,(H,23,27).
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 56568526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).