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

C18H24N4O4S2 — CID 53007063

IUPACN-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)NC4CC4)C3)c(C)s2)no1
InChIInChI=1S/C18H24N4O4S2/c1-3-16-20-17(21-26-16)14-9-15(11(2)27-14)28(24,25)22-8-4-5-12(10-22)18(23)19-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyTVPGJJSECJXSGX-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.35
Rot. Bonds6

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

N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 53007063) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID53007063
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC NameN-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)NC4CC4)C3)c(C)s2)no1
InChIInChI=1S/C18H24N4O4S2/c1-3-16-20-17(21-26-16)14-9-15(11(2)27-14)28(24,25)22-8-4-5-12(10-22)18(23)19-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,19,23)
InChIKeyTVPGJJSECJXSGX-UHFFFAOYSA-N
XLogP2.35
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]sulfonylpiperidine-3-carboxylic acid
CID 92863922
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075495
[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
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
(3R)-N-[(2-chlorophenyl)methyl]-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075609
(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93075482
(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
(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
CID 93068392
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 93075617

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 53007063) is N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide is CCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)NC4CC4)C3)c(C)s2)no1.
What is the InChIKey of N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is TVPGJJSECJXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-3-16-20-17(21-26-16)14-9-15(11(2)27-14)28(24,25)22-8-4-5-12(10-22)18(23)19-13-6-7-13/h9,12-13H,3-8,10H2,1-2H3,(H,19,23).
What are the key properties of N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53007063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).