ethyl 2-(phenothiazine-10-carbonylamino)acetate

C17H16N2O3S — CID 2980862

IUPACethyl 2-(phenothiazine-10-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-2-22-16(20)11-18-17(21)19-12-7-3-5-9-14(12)23-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyXSQCXSYGVNWZMU-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.56
Rot. Bonds3

About ethyl 2-(phenothiazine-10-carbonylamino)acetate

ethyl 2-(phenothiazine-10-carbonylamino)acetate (PubChem CID 2980862) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 2-(phenothiazine-10-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(phenothiazine-10-carbonylamino)acetate
PubChem CID2980862
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-(phenothiazine-10-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-2-22-16(20)11-18-17(21)19-12-7-3-5-9-14(12)23-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H,18,21)
InChIKeyXSQCXSYGVNWZMU-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(phenothiazine-10-carbonylamino)acetate?
The IUPAC name of ethyl 2-(phenothiazine-10-carbonylamino)acetate (CID 2980862) is ethyl 2-(phenothiazine-10-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(phenothiazine-10-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(phenothiazine-10-carbonylamino)acetate is CCOC(=O)CNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of ethyl 2-(phenothiazine-10-carbonylamino)acetate?
The InChIKey is XSQCXSYGVNWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-2-22-16(20)11-18-17(21)19-12-7-3-5-9-14(12)23-15-10-6-4-8-13(15)19/h3-10H,2,11H2,1H3,(H,18,21).
What are the key properties of ethyl 2-(phenothiazine-10-carbonylamino)acetate?
ethyl 2-(phenothiazine-10-carbonylamino)acetate has a molecular weight of 328.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(phenothiazine-10-carbonylamino)acetate is sourced from PubChem (CID 2980862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).