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

C25H28N4O5S — CID 16824132

IUPAC1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)CC2)cc1
InChIInChI=1S/C25H28N4O5S/c1-33-21-8-10-22(11-9-21)35(31,32)29-14-12-18(13-15-29)23(30)26-25-28-27-24(34-25)20-7-6-17-4-2-3-5-19(17)16-20/h6-11,16,18H,2-5,12-15H2,1H3,(H,26,28,30)
InChIKeyGYRJTTOICNCFPO-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-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16824132) 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-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID16824132
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-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)CC2)cc1
InChIInChI=1S/C25H28N4O5S/c1-33-21-8-10-22(11-9-21)35(31,32)29-14-12-18(13-15-29)23(30)26-25-28-27-24(34-25)20-7-6-17-4-2-3-5-19(17)16-20/h6-11,16,18H,2-5,12-15H2,1H3,(H,26,28,30)
InChIKeyGYRJTTOICNCFPO-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-3-carboxamide
CID 16862956
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16824109
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831892
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 40957878
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
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
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 43977669
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976842

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-4-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-4-carboxamide (CID 16824132) is 1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-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-4-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-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)CC2)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-4-carboxamide?
The InChIKey is GYRJTTOICNCFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-33-21-8-10-22(11-9-21)35(31,32)29-14-12-18(13-15-29)23(30)26-25-28-27-24(34-25)20-7-6-17-4-2-3-5-19(17)16-20/h6-11,16,18H,2-5,12-15H2,1H3,(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-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 16824132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).