(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide

C20H22N4O4S2 — CID 93075433

IUPAC(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)s2)no1
InChIInChI=1S/C20H22N4O4S2/c1-13-18(11-17(29-13)19-21-14(2)28-23-19)30(26,27)24-10-6-7-15(12-24)20(25)22-16-8-4-3-5-9-16/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyKVWAJMMRJUWNND-OAHLLOKOSA-N
MW446.55 g/mol
LogP3.45
Rot. Bonds5

About (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide

(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide (PubChem CID 93075433) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
PubChem CID93075433
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC Name(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)s2)no1
InChIInChI=1S/C20H22N4O4S2/c1-13-18(11-17(29-13)19-21-14(2)28-23-19)30(26,27)24-10-6-7-15(12-24)20(25)22-16-8-4-3-5-9-16/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyKVWAJMMRJUWNND-OAHLLOKOSA-N
XLogP3.45
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
N-(4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042406
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042430
(3R)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075328
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 93075384
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 53042422
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
(3S)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068330
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007082

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide (CID 93075433) is (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide is Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)c(C)s2)no1.
What is the InChIKey of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is KVWAJMMRJUWNND-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-13-18(11-17(29-13)19-21-14(2)28-23-19)30(26,27)24-10-6-7-15(12-24)20(25)22-16-8-4-3-5-9-16/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide?
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 93075433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).