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

C23H19NO4S — CID 8607701

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H19NO4S/c1-2-27-19-12-6-3-9-16(19)23(26)28-15-22(25)24-17-10-4-7-13-20(17)29-21-14-8-5-11-18(21)24/h3-14H,2,15H2,1H3
InChIKeyAIPLVPVDSJZLCU-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.07
Rot. Bonds5

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

(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate (PubChem CID 8607701) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
PubChem CID8607701
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H19NO4S/c1-2-27-19-12-6-3-9-16(19)23(26)28-15-22(25)24-17-10-4-7-13-20(17)29-21-14-8-5-11-18(21)24/h3-14H,2,15H2,1H3
InChIKeyAIPLVPVDSJZLCU-UHFFFAOYSA-N
XLogP5.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
CID 2586236
(2-oxo-2-phenothiazin-10-ylethyl) naphthalene-1-carboxylate
CID 3438977
2-(2-oxo-2-phenothiazin-10-ylethoxy)benzoic acid
CID 23740235
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-4-fluorobenzoate
CID 16529461
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chlorobenzoyl)benzoate
CID 23905777
(2-oxo-2-phenothiazin-10-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2351221
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
(2-oxo-2-phenothiazin-10-ylethyl) 4-(4-methylphenyl)benzoate
CID 23765646
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
CID 7842440
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-ethoxybenzoate
CID 7758181
2-ethoxybenzenecarboperoxoic acid
CID 22314606

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate (CID 8607701) is (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate?
The InChIKey is AIPLVPVDSJZLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-2-27-19-12-6-3-9-16(19)23(26)28-15-22(25)24-17-10-4-7-13-20(17)29-21-14-8-5-11-18(21)24/h3-14H,2,15H2,1H3.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate has a molecular weight of 405.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate is sourced from PubChem (CID 8607701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).