1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H30N4O4S3 — CID 126589186

IUPAC1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1sc(C2NOC(C(C)C)N2)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C21H30N4O4S3/c1-13(2)21-23-19(24-29-21)17-11-18(14(3)31-17)32(27,28)25-8-6-15(7-9-25)20(26)22-12-16-5-4-10-30-16/h4-5,10-11,13,15,19,21,23-24H,6-9,12H2,1-3H3,(H,22,26)
InChIKeyVMVFYSLJBPOXPZ-UHFFFAOYSA-N
MW498.70 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 126589186) has the molecular formula C21H30N4O4S3 and a molecular weight of 498.70 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID126589186
Molecular FormulaC21H30N4O4S3
Molecular Weight498.70 g/mol
Exact Mass498.14
IUPAC Name1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1sc(C2NOC(C(C)C)N2)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C21H30N4O4S3/c1-13(2)21-23-19(24-29-21)17-11-18(14(3)31-17)32(27,28)25-8-6-15(7-9-25)20(26)22-12-16-5-4-10-30-16/h4-5,10-11,13,15,19,21,23-24H,6-9,12H2,1-3H3,(H,22,26)
InChIKeyVMVFYSLJBPOXPZ-UHFFFAOYSA-N
XLogP2.94
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.70
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53106237
1-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53076159
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 650322
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 46653457
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 49082877
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53042076
1-[(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)sulfonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53106312
1-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909165

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 126589186) is 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is Cc1sc(C2NOC(C(C)C)N2)cc1S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VMVFYSLJBPOXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4S3/c1-13(2)21-23-19(24-29-21)17-11-18(14(3)31-17)32(27,28)25-8-6-15(7-9-25)20(26)22-12-16-5-4-10-30-16/h4-5,10-11,13,15,19,21,23-24H,6-9,12H2,1-3H3,(H,22,26).
What are the key properties of 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 498.70 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazolidin-3-yl)thiophen-3-yl]sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 126589186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).