1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

C22H24N4O5S2 — CID 53042984

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1
InChIInChI=1S/C22H24N4O5S2/c1-30-18-4-2-3-17(12-18)23-21(27)14-7-9-26(10-8-14)33(28,29)19-11-16(13-32-19)20-24-22(31-25-20)15-5-6-15/h2-4,11-15H,5-10H2,1H3,(H,23,27)
InChIKeyDAOKSLRFMXGTJA-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.72
Rot. Bonds7

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53042984) has the molecular formula C22H24N4O5S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53042984
Molecular FormulaC22H24N4O5S2
Molecular Weight488.59 g/mol
Exact Mass488.12
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1
InChIInChI=1S/C22H24N4O5S2/c1-30-18-4-2-3-17(12-18)23-21(27)14-7-9-26(10-8-14)33(28,29)19-11-16(13-32-19)20-24-22(31-25-20)15-5-6-15/h2-4,11-15H,5-10H2,1H3,(H,23,27)
InChIKeyDAOKSLRFMXGTJA-UHFFFAOYSA-N
XLogP3.72
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-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

1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 53043061
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 50829007
N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53114356
N-(2,5-dimethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042949
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53042733
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351
N-(2-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042969
(3S)-1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 92896199
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 4024478
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 53042984) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C5CC5)n4)cs3)CC2)c1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is DAOKSLRFMXGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S2/c1-30-18-4-2-3-17(12-18)23-21(27)14-7-9-26(10-8-14)33(28,29)19-11-16(13-32-19)20-24-22(31-25-20)15-5-6-15/h2-4,11-15H,5-10H2,1H3,(H,23,27).
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).