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

C20H28N4O4S2 — CID 53042448

IUPACN-cyclopentyl-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)NC4CCCC4)C3)c(C)s2)no1
InChIInChI=1S/C20H28N4O4S2/c1-3-18-22-19(23-28-18)16-11-17(13(2)29-16)30(26,27)24-10-6-7-14(12-24)20(25)21-15-8-4-5-9-15/h11,14-15H,3-10,12H2,1-2H3,(H,21,25)
InChIKeyWZJMRYYMIJCUNR-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.13
Rot. Bonds6

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

N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 53042448) has the molecular formula C20H28N4O4S2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID53042448
Molecular FormulaC20H28N4O4S2
Molecular Weight452.60 g/mol
Exact Mass452.16
IUPAC NameN-cyclopentyl-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)NC4CCCC4)C3)c(C)s2)no1
InChIInChI=1S/C20H28N4O4S2/c1-3-18-22-19(23-28-18)16-11-17(13(2)29-16)30(26,27)24-10-6-7-14(12-24)20(25)21-15-8-4-5-9-15/h11,14-15H,3-10,12H2,1-2H3,(H,21,25)
InChIKeyWZJMRYYMIJCUNR-UHFFFAOYSA-N
XLogP3.13
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007063
(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
(3S)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-cyclohexylpiperidine-3-carboxamide
CID 93068392
[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
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 53042448) is N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-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)NC4CCCC4)C3)c(C)s2)no1.
What is the InChIKey of N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is WZJMRYYMIJCUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S2/c1-3-18-22-19(23-28-18)16-11-17(13(2)29-16)30(26,27)24-10-6-7-14(12-24)20(25)21-15-8-4-5-9-15/h11,14-15H,3-10,12H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide?
N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53042448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).