1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

C25H28N4O5S — CID 16862956

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)C2)cc1
InChIInChI=1S/C25H28N4O5S/c1-33-21-10-12-22(13-11-21)35(31,32)29-14-4-7-20(16-29)23(30)26-25-28-27-24(34-25)19-9-8-17-5-2-3-6-18(17)15-19/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,28,30)
InChIKeyFEYPRZULBHYDHS-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (PubChem CID 16862956) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
PubChem CID16862956
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)C2)cc1
InChIInChI=1S/C25H28N4O5S/c1-33-21-10-12-22(13-11-21)35(31,32)29-14-4-7-20(16-29)23(30)26-25-28-27-24(34-25)19-9-8-17-5-2-3-6-18(17)15-19/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,28,30)
InChIKeyFEYPRZULBHYDHS-UHFFFAOYSA-N
XLogP3.66
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824132
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917
1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977851
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976842
1-(benzenesulfonyl)-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43976575
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43975778
(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51696146

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide (CID 16862956) is 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is FEYPRZULBHYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-33-21-10-12-22(13-11-21)35(31,32)29-14-4-7-20(16-29)23(30)26-25-28-27-24(34-25)19-9-8-17-5-2-3-6-18(17)15-19/h8-13,15,20H,2-7,14,16H2,1H3,(H,26,28,30).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 16862956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).