ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate

C26H34N2O6S — CID 30144014

About ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate

ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 30144014) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
• PubChem CID: 30144014
• Molecular Formula: C26H34N2O6S
• Molecular Weight: 502.63 g/mol
• Exact Mass: 502.21
• IUPAC Name: ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1
• InChI: InChI=1S/C26H34N2O6S/c1-4-33-24-12-11-22(17-19(24)3)35(31,32)27-23(18-20-9-7-6-8-10-20)25(29)28-15-13-21(14-16-28)26(30)34-5-2/h6-12,17,21,23,27H,4-5,13-16,18H2,1-3H3/t23-/m0/s1
• InChIKey: NXOLVOWNTLTMDL-QHCPKHFHSA-N
• XLogP: 3.09
• TPSA: 102.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.63
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate (CID 30144014) is ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OCC)c(C)c2)CC1.

What is the InChIKey of ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?

The InChIKey is NXOLVOWNTLTMDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-4-33-24-12-11-22(17-19(24)3)35(31,32)27-23(18-20-9-7-6-8-10-20)25(29)28-15-13-21(14-16-28)26(30)34-5-2/h6-12,17,21,23,27H,4-5,13-16,18H2,1-3H3/t23-/m0/s1.

What are the key properties of ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate?

ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 502.63 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(2S)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 30144014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).