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

C24H30N4O4S2 — CID 43889643

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

N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43889643) has the molecular formula C24H30N4O4S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43889643
• Molecular Formula: C24H30N4O4S2
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.17
• IUPAC Name: N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3nc(-c4cccs4)no3)C(C)(C)C)C2)cc1
• InChI: InChI=1S/C24H30N4O4S2/c1-17-9-11-19(12-10-17)34(30,31)27-13-5-7-18(15-27)23(29)28(24(2,3)4)16-21-25-22(26-32-21)20-8-6-14-33-20/h6,8-12,14,18H,5,7,13,15-16H2,1-4H3
• InChIKey: QJGJXLVGNWNNOU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 96.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43889643) is N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3nc(-c4cccs4)no3)C(C)(C)C)C2)cc1.

What is the InChIKey of N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is QJGJXLVGNWNNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S2/c1-17-9-11-19(12-10-17)34(30,31)27-13-5-7-18(15-27)23(29)28(24(2,3)4)16-21-25-22(26-32-21)20-8-6-14-33-20/h6,8-12,14,18H,5,7,13,15-16H2,1-4H3.

What are the key properties of N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?

N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43889643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).