1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

C22H26N4O4S2 — CID 50828919

IUPAC1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-15-5-7-17(8-6-15)9-10-23-22(27)18-4-3-11-26(13-18)32(28,29)20-12-19(14-31-20)21-24-16(2)30-25-21/h5-8,12,14,18H,3-4,9-11,13H2,1-2H3,(H,23,27)
InChIKeyVVGWOACNFWXSBC-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.17
Rot. Bonds7

About 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 50828919) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID50828919
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)cc1
InChIInChI=1S/C22H26N4O4S2/c1-15-5-7-17(8-6-15)9-10-23-22(27)18-4-3-11-26(13-18)32(28,29)20-12-19(14-31-20)21-24-16(2)30-25-21/h5-8,12,14,18H,3-4,9-11,13H2,1-2H3,(H,23,27)
InChIKeyVVGWOACNFWXSBC-UHFFFAOYSA-N
XLogP3.17
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-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-[2-(4-chlorophenyl)ethyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828802
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 92882347
(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
(3R)-N-(2-methoxyethyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895946
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092
(3R)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 92882338
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92882342
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92895841
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 50828691
(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731305
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide (CID 50828919) is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)cc1.
What is the InChIKey of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is VVGWOACNFWXSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-15-5-7-17(8-6-15)9-10-23-22(27)18-4-3-11-26(13-18)32(28,29)20-12-19(14-31-20)21-24-16(2)30-25-21/h5-8,12,14,18H,3-4,9-11,13H2,1-2H3,(H,23,27).
What are the key properties of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide?
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50828919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).