1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C27H31N3O4S — CID 20950563

About 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 20950563) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• PubChem CID: 20950563
• Molecular Formula: C27H31N3O4S
• Molecular Weight: 493.63 g/mol
• Exact Mass: 493.20
• IUPAC Name: 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• SMILES: Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(C)C)cc2)C1
• InChI: InChI=1S/C27H31N3O4S/c1-19(2)22-12-14-24(15-13-22)28-27(31)23-10-7-17-30(18-23)35(32,33)26-20(3)29-34-25(26)16-11-21-8-5-4-6-9-21/h4-6,8-9,11-16,19,23H,7,10,17-18H2,1-3H3,(H,28,31)/b16-11+
• InChIKey: HEVIHYCYTMHEAB-LFIBNONCSA-N
• XLogP: 5.32
• TPSA: 92.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.63
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The IUPAC name of 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 20950563) is 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is Cc1noc(/C=C/c2ccccc2)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(C(C)C)cc2)C1.

What is the InChIKey of 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The InChIKey is HEVIHYCYTMHEAB-LFIBNONCSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19(2)22-12-14-24(15-13-22)28-27(31)23-10-7-17-30(18-23)35(32,33)26-20(3)29-34-25(26)16-11-21-8-5-4-6-9-21/h4-6,8-9,11-16,19,23H,7,10,17-18H2,1-3H3,(H,28,31)/b16-11+.

What are the key properties of 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 20950563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).