N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C21H20ClFN4O5S — CID 24518893

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H20ClFN4O5S/c22-17-9-8-16(12-18(17)33(30,31)26-10-2-1-3-11-26)24-19(28)13-27-21(29)32-20(25-27)14-4-6-15(23)7-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,28)
InChIKeyHCIWIFVZISVWQP-UHFFFAOYSA-N
MW494.93 g/mol
LogP3.11
Rot. Bonds6

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 24518893) has the molecular formula C21H20ClFN4O5S and a molecular weight of 494.93 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID24518893
Molecular FormulaC21H20ClFN4O5S
Molecular Weight494.93 g/mol
Exact Mass494.08
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H20ClFN4O5S/c22-17-9-8-16(12-18(17)33(30,31)26-10-2-1-3-11-26)24-19(28)13-27-21(29)32-20(25-27)14-4-6-15(23)7-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,28)
InChIKeyHCIWIFVZISVWQP-UHFFFAOYSA-N
XLogP3.11
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.93
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 112802201
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 24599485
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
2-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53009753
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16517350
4-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 27040218
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622271
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669589
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24518898
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 24518893) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is HCIWIFVZISVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O5S/c22-17-9-8-16(12-18(17)33(30,31)26-10-2-1-3-11-26)24-19(28)13-27-21(29)32-20(25-27)14-4-6-15(23)7-5-14/h4-9,12H,1-3,10-11,13H2,(H,24,28).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 494.93 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 24518893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).