(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide

C21H24N4O5S2 — CID 92896051

IUPAC(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)c2)no1
InChIInChI=1S/C21H24N4O5S2/c1-3-18-23-20(24-30-18)15-11-19(31-13-15)32(27,28)25-10-4-5-14(12-25)21(26)22-16-6-8-17(29-2)9-7-16/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyNMFMHWMNJGVAEH-AWEZNQCLSA-N
MW476.58 g/mol
LogP3.41
Rot. Bonds7

About (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 92896051) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID92896051
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)c2)no1
InChIInChI=1S/C21H24N4O5S2/c1-3-18-23-20(24-30-18)15-11-19(31-13-15)32(27,28)25-10-4-5-14(12-25)21(26)22-16-6-8-17(29-2)9-7-16/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,22,26)/t14-/m0/s1
InChIKeyNMFMHWMNJGVAEH-AWEZNQCLSA-N
XLogP3.41
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(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)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92896136
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50829130
(3S)-N-(4-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895899
(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896162
N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50829087
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 50829076
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 92896051) is (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide is CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)c2)no1.
What is the InChIKey of (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is NMFMHWMNJGVAEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-3-18-23-20(24-30-18)15-11-19(31-13-15)32(27,28)25-10-4-5-14(12-25)21(26)22-16-6-8-17(29-2)9-7-16/h6-9,11,13-14H,3-5,10,12H2,1-2H3,(H,22,26)/t14-/m0/s1.
What are the key properties of (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92896051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).