(2-ethoxyphenyl)-phenothiazin-10-ylmethanone

C21H17NO2S — CID 753236

IUPAC(2-ethoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NO2S/c1-2-24-18-12-6-3-9-15(18)21(23)22-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)22/h3-14H,2H2,1H3
InChIKeyGWVDYOHXLPCVGH-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.53
Rot. Bonds3

About (2-ethoxyphenyl)-phenothiazin-10-ylmethanone

(2-ethoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 753236) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2-ethoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID753236
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name(2-ethoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H17NO2S/c1-2-24-18-12-6-3-9-15(18)21(23)22-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)22/h3-14H,2H2,1H3
InChIKeyGWVDYOHXLPCVGH-UHFFFAOYSA-N
XLogP5.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (2-ethoxyphenyl)-phenothiazin-10-ylmethanone (CID 753236) is (2-ethoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (2-ethoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (2-ethoxyphenyl)-phenothiazin-10-ylmethanone is CCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-ethoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is GWVDYOHXLPCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-2-24-18-12-6-3-9-15(18)21(23)22-16-10-4-7-13-19(16)25-20-14-8-5-11-17(20)22/h3-14H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl)-phenothiazin-10-ylmethanone?
(2-ethoxyphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 347.44 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 753236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).