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

C22H17NO4S — CID 2586236

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17NO4S/c1-26-18-11-5-2-8-15(18)22(25)27-14-21(24)23-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)23/h2-13H,14H2,1H3
InChIKeyGYTWXGCXNOENGA-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.68
Rot. Bonds4

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

(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate (PubChem CID 2586236) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
PubChem CID2586236
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H17NO4S/c1-26-18-11-5-2-8-15(18)22(25)27-14-21(24)23-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)23/h2-13H,14H2,1H3
InChIKeyGYTWXGCXNOENGA-UHFFFAOYSA-N
XLogP4.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-phenothiazin-10-ylethyl) 2-ethoxybenzoate
CID 8607701
(2-oxo-2-phenothiazin-10-ylethyl) naphthalene-1-carboxylate
CID 3438977
(2-oxo-2-phenothiazin-10-ylethyl) 4-(4-methylphenyl)benzoate
CID 23765646
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-chlorobenzoyl)benzoate
CID 23905777
(2-oxo-2-phenothiazin-10-ylethyl) 2-chloro-4-fluorobenzoate
CID 16529461
(2-oxo-2-phenothiazin-10-ylethyl) 3-methoxybenzoate
CID 8009407
(2-oxo-2-phenothiazin-10-ylethyl) 3-hydroxynaphthalene-2-carboxylate
CID 2351221
N'-(2-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928367
(2-oxo-2-phenothiazin-10-ylethyl) (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2360253
2-(2-oxo-2-phenothiazin-10-ylethoxy)benzoic acid
CID 23740235
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate (CID 2586236) is (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate?
The InChIKey is GYTWXGCXNOENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c1-26-18-11-5-2-8-15(18)22(25)27-14-21(24)23-16-9-3-6-12-19(16)28-20-13-7-4-10-17(20)23/h2-13H,14H2,1H3.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-methoxybenzoate has a molecular weight of 391.45 g/mol, XLogP of 4.68, 4 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-methoxybenzoate is sourced from PubChem (CID 2586236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).