1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide

C21H19NO3S — CID 71571230

IUPAC1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide
SMILESCOc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1
InChIInChI=1S/C21H19NO3S/c1-25-17-13-10-15(11-14-17)9-12-16-5-4-8-20-21(16)22-18-6-2-3-7-19(18)26(20,23)24/h2-8,10-11,13-14,22H,9,12H2,1H3
InChIKeyLCZXMHNWOQQFBC-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.37
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide

1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide (PubChem CID 71571230) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide
PubChem CID71571230
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide
SMILESCOc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1
InChIInChI=1S/C21H19NO3S/c1-25-17-13-10-15(11-14-17)9-12-16-5-4-8-20-21(16)22-18-6-2-3-7-19(18)26(20,23)24/h2-8,10-11,13-14,22H,9,12H2,1H3
InChIKeyLCZXMHNWOQQFBC-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide (CID 71571230) is 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide is COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide?
The InChIKey is LCZXMHNWOQQFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-25-17-13-10-15(11-14-17)9-12-16-5-4-8-20-21(16)22-18-6-2-3-7-19(18)26(20,23)24/h2-8,10-11,13-14,22H,9,12H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide?
1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide has a molecular weight of 365.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-10H-phenothiazine 5,5-dioxide is sourced from PubChem (CID 71571230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).