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

C22H26N4O4S2 — CID 92896136

IUPAC(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(CC)n4)cs3)C2)c1
InChIInChI=1S/C22H26N4O4S2/c1-3-15-7-5-9-18(11-15)23-22(27)16-8-6-10-26(13-16)32(28,29)20-12-17(14-31-20)21-24-19(4-2)30-25-21/h5,7,9,11-12,14,16H,3-4,6,8,10,13H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyPVRHZWKMFVSPJD-MRXNPFEDSA-N
MW474.61 g/mol
LogP3.96
Rot. Bonds7

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

(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide (PubChem CID 92896136) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
PubChem CID92896136
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(CC)n4)cs3)C2)c1
InChIInChI=1S/C22H26N4O4S2/c1-3-15-7-5-9-18(11-15)23-22(27)16-8-6-10-26(13-16)32(28,29)20-12-17(14-31-20)21-24-19(4-2)30-25-21/h5,7,9,11-12,14,16H,3-4,6,8,10,13H2,1-2H3,(H,23,27)/t16-/m1/s1
InChIKeyPVRHZWKMFVSPJD-MRXNPFEDSA-N
XLogP3.96
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.96
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-(3-methylphenyl)piperidine-3-carboxamide
CID 50829130
(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
(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-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50829038
(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
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
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896176

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide (CID 92896136) is (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide is CCc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(CC)n4)cs3)C2)c1.
What is the InChIKey of (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is PVRHZWKMFVSPJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-3-15-7-5-9-18(11-15)23-22(27)16-8-6-10-26(13-16)32(28,29)20-12-17(14-31-20)21-24-19(4-2)30-25-21/h5,7,9,11-12,14,16H,3-4,6,8,10,13H2,1-2H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide?
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92896136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).