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

C23H31N3O5S — CID 92662199

IUPAC1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C23H31N3O5S/c1-16-6-3-4-8-20(16)24-23(27)18-11-13-26(14-12-18)32(28,29)22-17(2)25-31-21(22)10-9-19-7-5-15-30-19/h5,7,9-10,15-16,18,20H,3-4,6,8,11-14H2,1-2H3,(H,24,27)/b10-9+/t16-,20-/m0/s1
InChIKeyYWEBMOXHHSYYQQ-AFNCWWAVSA-N
MW461.58 g/mol
LogP3.84
Rot. Bonds6

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

1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (PubChem CID 92662199) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
PubChem CID92662199
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC Name1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C23H31N3O5S/c1-16-6-3-4-8-20(16)24-23(27)18-11-13-26(14-12-18)32(28,29)22-17(2)25-31-21(22)10-9-19-7-5-15-30-19/h5,7,9-10,15-16,18,20H,3-4,6,8,11-14H2,1-2H3,(H,24,27)/b10-9+/t16-,20-/m0/s1
InChIKeyYWEBMOXHHSYYQQ-AFNCWWAVSA-N
XLogP3.84
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide (CID 92662199) is 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1.
What is the InChIKey of 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
The InChIKey is YWEBMOXHHSYYQQ-AFNCWWAVSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-16-6-3-4-8-20(16)24-23(27)18-11-13-26(14-12-18)32(28,29)22-17(2)25-31-21(22)10-9-19-7-5-15-30-19/h5,7,9-10,15-16,18,20H,3-4,6,8,11-14H2,1-2H3,(H,24,27)/b10-9+/t16-,20-/m0/s1.
What are the key properties of 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide?
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide has a molecular weight of 461.58 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 92662199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).