(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate

C24H20N2O4S — CID 3132098

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H20N2O4S/c1-16(25-23(28)17-9-3-2-4-10-17)24(29)30-15-22(27)26-18-11-5-7-13-20(18)31-21-14-8-6-12-19(21)26/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyLIYSTZCIWVOZKZ-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.18
Rot. Bonds5

About (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate

(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate (PubChem CID 3132098) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate
PubChem CID3132098
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate
SMILESCC(NC(=O)c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H20N2O4S/c1-16(25-23(28)17-9-3-2-4-10-17)24(29)30-15-22(27)26-18-11-5-7-13-20(18)31-21-14-8-6-12-19(21)26/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyLIYSTZCIWVOZKZ-UHFFFAOYSA-N
XLogP4.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate (CID 3132098) is (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate is CC(NC(=O)c1ccccc1)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate?
The InChIKey is LIYSTZCIWVOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-16(25-23(28)17-9-3-2-4-10-17)24(29)30-15-22(27)26-18-11-5-7-13-20(18)31-21-14-8-6-12-19(21)26/h2-14,16H,15H2,1H3,(H,25,28).
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate has a molecular weight of 432.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-benzamidopropanoate is sourced from PubChem (CID 3132098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).