(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide

C22H24N4O6S2 — CID 93068420

IUPAC(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c(C)s2)no1
InChIInChI=1S/C22H24N4O6S2/c1-3-20-24-21(25-32-20)18-10-19(13(2)33-18)34(28,29)26-8-4-5-14(11-26)22(27)23-15-6-7-16-17(9-15)31-12-30-16/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyJWPCFUYPEHPQNA-CQSZACIVSA-N
MW504.59 g/mol
LogP3.44
Rot. Bonds6

About (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide

(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 93068420) has the molecular formula C22H24N4O6S2 and a molecular weight of 504.59 g/mol. Its IUPAC name is (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID93068420
Molecular FormulaC22H24N4O6S2
Molecular Weight504.59 g/mol
Exact Mass504.11
IUPAC Name(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c(C)s2)no1
InChIInChI=1S/C22H24N4O6S2/c1-3-20-24-21(25-32-20)18-10-19(13(2)33-18)34(28,29)26-8-4-5-14(11-26)22(27)23-15-6-7-16-17(9-15)31-12-30-16/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyJWPCFUYPEHPQNA-CQSZACIVSA-N
XLogP3.44
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxylic acid
CID 92863922
N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042448
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
N-(3-chloro-4-methylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042118
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075597
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007067
[(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 93068355
(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-acetylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078594

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 93068420) is (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide is CCc1nc(-c2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc5c(c4)OCO5)C3)c(C)s2)no1.
What is the InChIKey of (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is JWPCFUYPEHPQNA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24N4O6S2/c1-3-20-24-21(25-32-20)18-10-19(13(2)33-18)34(28,29)26-8-4-5-14(11-26)22(27)23-15-6-7-16-17(9-15)31-12-30-16/h6-7,9-10,14H,3-5,8,11-12H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
(3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-benzodioxol-5-yl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 93068420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).