2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C27H25N3O4S — CID 4228341

IUPAC2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H25N3O4S/c31-26(25-24(20-9-3-1-4-10-20)19-22-11-5-8-18-30(22)25)27(32)28-21-12-14-23(15-13-21)35(33,34)29-16-6-2-7-17-29/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32)
InChIKeyMEPBAZLLOKGIKD-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.60
Rot. Bonds6

About 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4228341) has the molecular formula C27H25N3O4S and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4228341
Molecular FormulaC27H25N3O4S
Molecular Weight487.58 g/mol
Exact Mass487.16
IUPAC Name2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H25N3O4S/c31-26(25-24(20-9-3-1-4-10-20)19-22-11-5-8-18-30(22)25)27(32)28-21-12-14-23(15-13-21)35(33,34)29-16-6-2-7-17-29/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32)
InChIKeyMEPBAZLLOKGIKD-UHFFFAOYSA-N
XLogP4.60
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 4228341) is 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is MEPBAZLLOKGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4S/c31-26(25-24(20-9-3-1-4-10-20)19-22-11-5-8-18-30(22)25)27(32)28-21-12-14-23(15-13-21)35(33,34)29-16-6-2-7-17-29/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32).
What are the key properties of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 487.58 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4228341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).