2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C18H16ClN3O4S — CID 7543966

IUPAC2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H16ClN3O4S/c1-11-3-4-12(2)15(9-11)17-21-22-18(26-17)20-16(23)10-27(24,25)14-7-5-13(19)6-8-14/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyIJYQBOJUBFYFJU-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 7543966) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID7543966
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C18H16ClN3O4S/c1-11-3-4-12(2)15(9-11)17-21-22-18(26-17)20-16(23)10-27(24,25)14-7-5-13(19)6-8-14/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyIJYQBOJUBFYFJU-UHFFFAOYSA-N
XLogP3.42
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977225
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 7254233
2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151452
N-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 43977106
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
CID 7544014
2-(benzenesulfonyl)-N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7544601
1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924089

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 7543966) is 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(C)c(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is IJYQBOJUBFYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c1-11-3-4-12(2)15(9-11)17-21-22-18(26-17)20-16(23)10-27(24,25)14-7-5-13(19)6-8-14/h3-9H,10H2,1-2H3,(H,20,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 405.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 7543966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).