N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide

C22H23N5O4S2 — CID 53078578

IUPACN-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)s2)no1
InChIInChI=1S/C22H23N5O4S2/c1-3-20-25-21(26-31-20)18-12-19(14(2)32-18)33(29,30)27-9-7-16(8-10-27)22(28)24-17-6-4-5-15(11-17)13-23/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,24,28)
InChIKeyZNPGADRIGHKCSI-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.58
Rot. Bonds6

About N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide

N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53078578) has the molecular formula C22H23N5O4S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53078578
Molecular FormulaC22H23N5O4S2
Molecular Weight485.59 g/mol
Exact Mass485.12
IUPAC NameN-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)s2)no1
InChIInChI=1S/C22H23N5O4S2/c1-3-20-25-21(26-31-20)18-12-19(14(2)32-18)33(29,30)27-9-7-16(8-10-27)22(28)24-17-6-4-5-15(11-17)13-23/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,24,28)
InChIKeyZNPGADRIGHKCSI-UHFFFAOYSA-N
XLogP3.58
TPSA129.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 53042046
N-(3-chloro-4-methylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042118
N-(4-acetylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078594
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042052
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
N-(3-chlorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042600
ethyl 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxylate
CID 53041550
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53042063
(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068420
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041556

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide (CID 53078578) is N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide is CCc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c(C)s2)no1.
What is the InChIKey of N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZNPGADRIGHKCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S2/c1-3-20-25-21(26-31-20)18-12-19(14(2)32-18)33(29,30)27-9-7-16(8-10-27)22(28)24-17-6-4-5-15(11-17)13-23/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,24,28).
What are the key properties of N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide?
N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53078578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).