N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C26H32N4O3S — CID 55756308

About N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55756308) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• PubChem CID: 55756308
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• SMILES: Cc1c(-c2ccccc2)sc(NC(=O)CCCc2nc(C(C)C)no2)c1C(=O)N1CCCCC1
• InChI: InChI=1S/C26H32N4O3S/c1-17(2)24-28-21(33-29-24)14-10-13-20(31)27-25-22(26(32)30-15-8-5-9-16-30)18(3)23(34-25)19-11-6-4-7-12-19/h4,6-7,11-12,17H,5,8-10,13-16H2,1-3H3,(H,27,31)
• InChIKey: FUSVTZBJSUSNHL-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The IUPAC name of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 55756308) is N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

What is the SMILES notation for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The canonical SMILES for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is Cc1c(-c2ccccc2)sc(NC(=O)CCCc2nc(C(C)C)no2)c1C(=O)N1CCCCC1.

What is the InChIKey of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The InChIKey is FUSVTZBJSUSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-17(2)24-28-21(33-29-24)14-10-13-20(31)27-25-22(26(32)30-15-8-5-9-16-30)18(3)23(34-25)19-11-6-4-7-12-19/h4,6-7,11-12,17H,5,8-10,13-16H2,1-3H3,(H,27,31).

What are the key properties of N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 480.63 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55756308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).