(3-methoxyphenyl)-phenothiazin-10-ylmethanone

C20H15NO2S — CID 667801

IUPAC(3-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H15NO2S/c1-23-15-8-6-7-14(13-15)20(22)21-16-9-2-4-11-18(16)24-19-12-5-3-10-17(19)21/h2-13H,1H3
InChIKeyFBPIHVVAHJTNMC-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.14
Rot. Bonds2

About (3-methoxyphenyl)-phenothiazin-10-ylmethanone

(3-methoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 667801) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3-methoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID667801
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name(3-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1
InChIInChI=1S/C20H15NO2S/c1-23-15-8-6-7-14(13-15)20(22)21-16-9-2-4-11-18(16)24-19-12-5-3-10-17(19)21/h2-13H,1H3
InChIKeyFBPIHVVAHJTNMC-UHFFFAOYSA-N
XLogP5.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (3-methoxyphenyl)-phenothiazin-10-ylmethanone (CID 667801) is (3-methoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (3-methoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (3-methoxyphenyl)-phenothiazin-10-ylmethanone is COc1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1.
What is the InChIKey of (3-methoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is FBPIHVVAHJTNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-23-15-8-6-7-14(13-15)20(22)21-16-9-2-4-11-18(16)24-19-12-5-3-10-17(19)21/h2-13H,1H3.
What are the key properties of (3-methoxyphenyl)-phenothiazin-10-ylmethanone?
(3-methoxyphenyl)-phenothiazin-10-ylmethanone has a molecular weight of 333.41 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 667801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).