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

C18H17N3O4S — CID 86286746

IUPAC2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4S/c1-26(23,24)15-9-7-13(8-10-15)11-16(22)19-12-17-20-21-18(25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyBUMLSUQZLJMQKV-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.00
Rot. Bonds6

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

2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 86286746) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID86286746
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H17N3O4S/c1-26(23,24)15-9-7-13(8-10-15)11-16(22)19-12-17-20-21-18(25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyBUMLSUQZLJMQKV-UHFFFAOYSA-N
XLogP2.00
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 86286746) is 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CS(=O)(=O)c1ccc(CC(=O)NCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is BUMLSUQZLJMQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-26(23,24)15-9-7-13(8-10-15)11-16(22)19-12-17-20-21-18(25-17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 86286746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).