N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide

C19H19N3O6S — CID 7254233

IUPACN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1
InChIInChI=1S/C19H19N3O6S/c1-12-4-7-14(8-5-12)29(24,25)11-17(23)20-19-22-21-18(28-19)15-9-6-13(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,20,22,23)
InChIKeySJFUIFPKZFIDKW-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.47
Rot. Bonds7

About N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 7254233) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID7254233
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1
InChIInChI=1S/C19H19N3O6S/c1-12-4-7-14(8-5-12)29(24,25)11-17(23)20-19-22-21-18(28-19)15-9-6-13(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,20,22,23)
InChIKeySJFUIFPKZFIDKW-UHFFFAOYSA-N
XLogP2.47
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273919
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfonylacetamide
CID 16854216
2-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7544601
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8719065
2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973309
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16854277
S-[2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxoethyl] ethanethioate
CID 16949205
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7543966
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16854218

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide (CID 7254233) is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide is COc1ccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)o2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is SJFUIFPKZFIDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-12-4-7-14(8-5-12)29(24,25)11-17(23)20-19-22-21-18(28-19)15-9-6-13(26-2)10-16(15)27-3/h4-10H,11H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 417.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 7254233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).