(2-methoxyphenyl)-phenothiazin-10-ylmethanone

C20H15NO2S — CID 695276

IUPAC(2-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO2S/c1-23-17-11-5-2-8-14(17)20(22)21-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)21/h2-13H,1H3
InChIKeyHAYUDLNFDRQBAK-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.14
Rot. Bonds2

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

(2-methoxyphenyl)-phenothiazin-10-ylmethanone (PubChem CID 695276) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-phenothiazin-10-ylmethanone
PubChem CID695276
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name(2-methoxyphenyl)-phenothiazin-10-ylmethanone
SMILESCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H15NO2S/c1-23-17-11-5-2-8-14(17)20(22)21-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)21/h2-13H,1H3
InChIKeyHAYUDLNFDRQBAK-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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Related Compounds

2-chloro-10-(4-methoxybenzoyl)-10H-phenothiazine
CID 2359994
o-tolyl 10H-phenothiazine-10-carboxylate
CID 24905592
2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
CID 1007805
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
4-Methoxyphenyl phenothiazin-10-yl ketone
CID 1237217
(2-Methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 669785
2-methoxy-4-(methylsulfanyl)-N-phenylbenzamide
CID 669865
2-methoxy-N-[3-(methylsulfanyl)phenyl]benzamide
CID 900514
(2,4-Dimethoxyphenyl)-phenothiazin-10-ylmethanone
CID 3478672
(2-Methoxyphenothiazin-10-yl)-(4-methoxyphenyl)methanone
CID 53309413
(5,5-Dioxophenothiazin-10-yl)-(4-methoxyphenyl)methanone
CID 53309562

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-phenothiazin-10-ylmethanone?
The IUPAC name of (2-methoxyphenyl)-phenothiazin-10-ylmethanone (CID 695276) is (2-methoxyphenyl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (2-methoxyphenyl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (2-methoxyphenyl)-phenothiazin-10-ylmethanone is COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of (2-methoxyphenyl)-phenothiazin-10-ylmethanone?
The InChIKey is HAYUDLNFDRQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-23-17-11-5-2-8-14(17)20(22)21-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)21/h2-13H,1H3.
What are the key properties of (2-methoxyphenyl)-phenothiazin-10-ylmethanone?
(2-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 (2-methoxyphenyl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 695276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).