2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide

C21H24N4O4S — CID 56509826

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C21H24N4O4S/c1-5-19-22-20(29-23-19)13-25(4)21(26)16-8-6-7-9-17(16)24-30(27,28)18-12-14(2)10-11-15(18)3/h6-12,24H,5,13H2,1-4H3
InChIKeyAHMINFNUPDTHBA-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.32
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide (PubChem CID 56509826) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
PubChem CID56509826
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
SMILESCCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C21H24N4O4S/c1-5-19-22-20(29-23-19)13-25(4)21(26)16-8-6-7-9-17(16)24-30(27,28)18-12-14(2)10-11-15(18)3/h6-12,24H,5,13H2,1-4H3
InChIKeyAHMINFNUPDTHBA-UHFFFAOYSA-N
XLogP3.32
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide with MolForge

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[(3-nitrophenyl)sulfonylamino]benzamide
CID 56509825
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 29238976
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 35990962
N-[2-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093819
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55959451
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
N-[3-(diethylcarbamoyl)phenyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55629211
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
2,5-dimethyl-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663235

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide (CID 56509826) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide is CCc1noc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)n1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
The InChIKey is AHMINFNUPDTHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-5-19-22-20(29-23-19)13-25(4)21(26)16-8-6-7-9-17(16)24-30(27,28)18-12-14(2)10-11-15(18)3/h6-12,24H,5,13H2,1-4H3.
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide has a molecular weight of 428.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 56509826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).