N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C28H32FN3O5S — CID 46351699

About N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 46351699) has the molecular formula C28H32FN3O5S and a molecular weight of 541.65 g/mol. Its IUPAC name is N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 46351699
• Molecular Formula: C28H32FN3O5S
• Molecular Weight: 541.65 g/mol
• Exact Mass: 541.20
• IUPAC Name: N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
• SMILES: Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)C2CCCC2)CC1
• InChI: InChI=1S/C28H32FN3O5S/c1-20-27(26(37-30-20)13-12-21-7-2-5-11-25(21)29)38(34,35)31-16-14-22(15-17-31)28(33)32(23-8-3-4-9-23)19-24-10-6-18-36-24/h2,5-7,10-13,18,22-23H,3-4,8-9,14-17,19H2,1H3/b13-12+
• InChIKey: AOXVKIWZHJWJFM-OUKQBFOZSA-N
• XLogP: 5.26
• TPSA: 96.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.65
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 46351699) is N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N(Cc2ccco2)C2CCCC2)CC1.

What is the InChIKey of N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?

The InChIKey is AOXVKIWZHJWJFM-OUKQBFOZSA-N. The full InChI is InChI=1S/C28H32FN3O5S/c1-20-27(26(37-30-20)13-12-21-7-2-5-11-25(21)29)38(34,35)31-16-14-22(15-17-31)28(33)32(23-8-3-4-9-23)19-24-10-6-18-36-24/h2,5-7,10-13,18,22-23H,3-4,8-9,14-17,19H2,1H3/b13-12+.

What are the key properties of N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?

N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 541.65 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46351699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).