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

C22H23NO3S — CID 2092512

IUPAC(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H23NO3S/c24-21(15-26-22(25)14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)23/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyKFEYSWYWSKMXSH-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.33
Rot. Bonds4

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

(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate (PubChem CID 2092512) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate.

Molecular Properties

Compound Name(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
PubChem CID2092512
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate
SMILESO=C(CC1CCCCC1)OCC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C22H23NO3S/c24-21(15-26-22(25)14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)23/h4-7,10-13,16H,1-3,8-9,14-15H2
InChIKeyKFEYSWYWSKMXSH-UHFFFAOYSA-N
XLogP5.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-2-phenothiazin-10-ylethyl) 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4257948
(2-oxo-2-phenothiazin-10-ylethyl) 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9065543
(2-oxo-2-phenothiazin-10-ylethyl) butanoate
CID 2629114
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,6-dichlorophenyl)acetate
CID 3608464
(2-oxo-2-phenothiazin-10-ylethyl) 2-(4-phenylphenyl)acetate
CID 3526658
cyclohexyl phenothiazine-10-carboxylate
CID 139765557
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2-fluorophenoxy)acetate
CID 7842440
(2-oxo-2-phenothiazin-10-ylethyl) 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 2493557
(2-oxo-2-phenothiazin-10-ylethyl) but-2-enoate
CID 4999906
(2-oxo-2-phenothiazin-10-ylethyl) 2-(3,4-dimethylphenyl)acetate
CID 7904861
(2-oxo-2-phenothiazin-10-ylethyl) 4-bromobenzoate
CID 4211573
(2-oxo-2-phenothiazin-10-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 2417417

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate?
The IUPAC name of (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate (CID 2092512) is (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate.
What is the SMILES notation for (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate?
The canonical SMILES for (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate is O=C(CC1CCCCC1)OCC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate?
The InChIKey is KFEYSWYWSKMXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c24-21(15-26-22(25)14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)27-20-13-7-5-11-18(20)23/h4-7,10-13,16H,1-3,8-9,14-15H2.
What are the key properties of (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate?
(2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate has a molecular weight of 381.50 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenothiazin-10-ylethyl) 2-cyclohexylacetate is sourced from PubChem (CID 2092512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).