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

C18H16ClN3O4S2 — CID 43975180

IUPAC2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)10-17-21-22-18(26-17)20-16(23)11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyAKSXCHTWHQTNRY-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.45
Rot. Bonds7

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

2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43975180) has the molecular formula C18H16ClN3O4S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43975180
Molecular FormulaC18H16ClN3O4S2
Molecular Weight437.93 g/mol
Exact Mass437.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)10-17-21-22-18(26-17)20-16(23)11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23)
InChIKeyAKSXCHTWHQTNRY-UHFFFAOYSA-N
XLogP3.45
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43975180) is 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AKSXCHTWHQTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S2/c1-28(24,25)15-8-2-12(3-9-15)10-17-21-22-18(26-17)20-16(23)11-27-14-6-4-13(19)5-7-14/h2-9H,10-11H2,1H3,(H,20,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 437.93 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43975180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).