N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C26H25N3O4S — CID 4250479

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1
InChIInChI=1S/C26H25N3O4S/c1-3-28(4-2)34(32,33)22-15-10-13-20(17-22)27-26(31)25(30)24-23(19-11-6-5-7-12-19)18-21-14-8-9-16-29(21)24/h5-18H,3-4H2,1-2H3,(H,27,31)
InChIKeyLZTYNCCXNMMTJM-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.46
Rot. Bonds8

About N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 4250479) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
PubChem CID4250479
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1
InChIInChI=1S/C26H25N3O4S/c1-3-28(4-2)34(32,33)22-15-10-13-20(17-22)27-26(31)25(30)24-23(19-11-6-5-7-12-19)18-21-14-8-9-16-29(21)24/h5-18H,3-4H2,1-2H3,(H,27,31)
InChIKeyLZTYNCCXNMMTJM-UHFFFAOYSA-N
XLogP4.46
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.46
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 N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 4250479) is N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The InChIKey is LZTYNCCXNMMTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-3-28(4-2)34(32,33)22-15-10-13-20(17-22)27-26(31)25(30)24-23(19-11-6-5-7-12-19)18-21-14-8-9-16-29(21)24/h5-18H,3-4H2,1-2H3,(H,27,31).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 4250479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).