(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C25H30N4O4S2 — CID 93075695

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

(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 93075695) has the molecular formula C25H30N4O4S2 and a molecular weight of 514.67 g/mol. Its IUPAC name is (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 93075695
• Molecular Formula: C25H30N4O4S2
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.17
• IUPAC Name: (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)cc1
• InChI: InChI=1S/C25H30N4O4S2/c1-16-8-10-18(11-9-16)14-26-24(30)20-7-4-12-29(15-20)35(31,32)22-13-21(34-17(22)2)23-27-25(33-28-23)19-5-3-6-19/h8-11,13,19-20H,3-7,12,14-15H2,1-2H3,(H,26,30)/t20-/m1/s1
• InChIKey: GRSXDIAIZQWDCC-HXUWFJFHSA-N
• XLogP: 4.40
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 93075695) is (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(-c4noc(C5CCC5)n4)sc3C)C2)cc1.

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

The InChIKey is GRSXDIAIZQWDCC-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O4S2/c1-16-8-10-18(11-9-16)14-26-24(30)20-7-4-12-29(15-20)35(31,32)22-13-21(34-17(22)2)23-27-25(33-28-23)19-5-3-6-19/h8-11,13,19-20H,3-7,12,14-15H2,1-2H3,(H,26,30)/t20-/m1/s1.

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

(3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 514.67 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 93075695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).