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

C20H20F2N4O4S2 — CID 50829087

IUPACN-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)c2)no1
InChIInChI=1S/C20H20F2N4O4S2/c1-2-17-24-19(25-30-17)13-8-18(31-11-13)32(28,29)26-7-3-4-12(10-26)20(27)23-16-9-14(21)5-6-15(16)22/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,23,27)
InChIKeySQPSEYYXDPFFIX-UHFFFAOYSA-N
MW482.53 g/mol
LogP3.68
Rot. Bonds6

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

N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 50829087) has the molecular formula C20H20F2N4O4S2 and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
PubChem CID50829087
Molecular FormulaC20H20F2N4O4S2
Molecular Weight482.53 g/mol
Exact Mass482.09
IUPAC NameN-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)c2)no1
InChIInChI=1S/C20H20F2N4O4S2/c1-2-17-24-19(25-30-17)13-8-18(31-11-13)32(28,29)26-7-3-4-12(10-26)20(27)23-16-9-14(21)5-6-15(16)22/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,23,27)
InChIKeySQPSEYYXDPFFIX-UHFFFAOYSA-N
XLogP3.68
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 50829076
(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896162
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92896170
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50829038
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50829130
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92896136
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
(3S)-N-(2-fluorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895885
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide (CID 50829087) is N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cc(F)ccc4F)C3)c2)no1.
What is the InChIKey of N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is SQPSEYYXDPFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4S2/c1-2-17-24-19(25-30-17)13-8-18(31-11-13)32(28,29)26-7-3-4-12(10-26)20(27)23-16-9-14(21)5-6-15(16)22/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,23,27).
What are the key properties of N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide?
N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 50829087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).