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

C19H19N3O5S — CID 43973309

IUPAC2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O5S/c1-13-3-5-14(6-4-13)11-18-21-22-19(27-18)20-17(23)12-28(24,25)16-9-7-15(26-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyFANQUBPJVCFCSB-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.39
Rot. Bonds7

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

2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43973309) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43973309
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O5S/c1-13-3-5-14(6-4-13)11-18-21-22-19(27-18)20-17(23)12-28(24,25)16-9-7-15(26-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyFANQUBPJVCFCSB-UHFFFAOYSA-N
XLogP2.39
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974123
3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43973273
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 7254233
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
2-(4-methoxyphenyl)sulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974941
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41226586
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
2-(3-methoxyphenyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43975288
2-(1,3-dioxoisoindol-2-yl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917872
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 43975494
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43973309) is 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is FANQUBPJVCFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-13-3-5-14(6-4-13)11-18-21-22-19(27-18)20-17(23)12-28(24,25)16-9-7-15(26-2)8-10-16/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43973309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).