N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

C17H22N4O5S — CID 43975778

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3CCCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C17H22N4O5S/c1-3-25-14-8-6-12(7-9-14)16-19-20-17(26-16)18-15(22)13-5-4-10-21(11-13)27(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyQSFBZICVDOEOEE-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.75
Rot. Bonds6

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 43975778) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID43975778
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCCOc1ccc(-c2nnc(NC(=O)C3CCCN(S(C)(=O)=O)C3)o2)cc1
InChIInChI=1S/C17H22N4O5S/c1-3-25-14-8-6-12(7-9-14)16-19-20-17(26-16)18-15(22)13-5-4-10-21(11-13)27(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22)
InChIKeyQSFBZICVDOEOEE-UHFFFAOYSA-N
XLogP1.75
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51696146
1-(benzenesulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16861734
1-(4-chlorophenyl)sulfonyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43975761
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 43975759
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43972271
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
(3S)-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 51695962
1-(benzenesulfonyl)-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977851
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-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973630
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 43975778) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is CCOc1ccc(-c2nnc(NC(=O)C3CCCN(S(C)(=O)=O)C3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is QSFBZICVDOEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-3-25-14-8-6-12(7-9-14)16-19-20-17(26-16)18-15(22)13-5-4-10-21(11-13)27(2,23)24/h6-9,13H,3-5,10-11H2,1-2H3,(H,18,20,22).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43975778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).