N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide

C26H20N2O2S — CID 2289652

IUPACN-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H20N2O2S/c29-26(27-20-14-16-21(17-15-20)30-18-19-8-2-1-3-9-19)28-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)28/h1-17H,18H2,(H,27,29)
InChIKeyVAZOMQAGBUYRSL-UHFFFAOYSA-N
MW424.53 g/mol
LogP7.10
Rot. Bonds4

About N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide

N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide (PubChem CID 2289652) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide
PubChem CID2289652
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC NameN-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H20N2O2S/c29-26(27-20-14-16-21(17-15-20)30-18-19-8-2-1-3-9-19)28-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)28/h1-17H,18H2,(H,27,29)
InChIKeyVAZOMQAGBUYRSL-UHFFFAOYSA-N
XLogP7.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide (CID 2289652) is N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is VAZOMQAGBUYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c29-26(27-20-14-16-21(17-15-20)30-18-19-8-2-1-3-9-19)28-22-10-4-6-12-24(22)31-25-13-7-5-11-23(25)28/h1-17H,18H2,(H,27,29).
What are the key properties of N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide?
N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 7.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 2289652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).