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

C23H26N4O4S2 — CID 92896018

IUPAC(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc5c4CCCC5)C3)c2)no1
InChIInChI=1S/C23H26N4O4S2/c1-15-24-22(26-31-15)18-12-21(32-14-18)33(29,30)27-11-5-8-17(13-27)23(28)25-20-10-4-7-16-6-2-3-9-19(16)20/h4,7,10,12,14,17H,2-3,5-6,8-9,11,13H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyHCYKFBPQPLKTEK-QGZVFWFLSA-N
MW486.62 g/mol
LogP4.02
Rot. Bonds5

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

(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 92896018) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
PubChem CID92896018
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc5c4CCCC5)C3)c2)no1
InChIInChI=1S/C23H26N4O4S2/c1-15-24-22(26-31-15)18-12-21(32-14-18)33(29,30)27-11-5-8-17(13-27)23(28)25-20-10-4-7-16-6-2-3-9-19(16)20/h4,7,10,12,14,17H,2-3,5-6,8-9,11,13H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyHCYKFBPQPLKTEK-QGZVFWFLSA-N
XLogP4.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 50829034
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758
(3R)-N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895910
(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
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 92895845
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856
(3R)-N-(2,4-dimethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895834
N-(3-fluoro-4-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828782
(3S)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 92896199
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 50828691

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 92896018) is (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is Cc1nc(-c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4cccc5c4CCCC5)C3)c2)no1.
What is the InChIKey of (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The InChIKey is HCYKFBPQPLKTEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-15-24-22(26-31-15)18-12-21(32-14-18)33(29,30)27-11-5-8-17(13-27)23(28)25-20-10-4-7-16-6-2-3-9-19(16)20/h4,7,10,12,14,17H,2-3,5-6,8-9,11,13H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92896018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).