N-(2-methoxyphenyl)phenothiazine-10-carboxamide

C20H16N2O2S — CID 806725

IUPACN-(2-methoxyphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H16N2O2S/c1-24-17-11-5-2-8-14(17)21-20(23)22-15-9-3-6-12-18(15)25-19-13-7-4-10-16(19)22/h2-13H,1H3,(H,21,23)
InChIKeyZKJBAXKMFZMTHC-UHFFFAOYSA-N
MW348.43 g/mol
LogP5.53
Rot. Bonds2

About N-(2-methoxyphenyl)phenothiazine-10-carboxamide

N-(2-methoxyphenyl)phenothiazine-10-carboxamide (PubChem CID 806725) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)phenothiazine-10-carboxamide
PubChem CID806725
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(2-methoxyphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H16N2O2S/c1-24-17-11-5-2-8-14(17)21-20(23)22-15-9-3-6-12-18(15)25-19-13-7-4-10-16(19)22/h2-13H,1H3,(H,21,23)
InChIKeyZKJBAXKMFZMTHC-UHFFFAOYSA-N
XLogP5.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methoxyphenyl)phenothiazine-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)phenothiazine-10-carboxamide (CID 806725) is N-(2-methoxyphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)phenothiazine-10-carboxamide is COc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)phenothiazine-10-carboxamide?
The InChIKey is ZKJBAXKMFZMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-17-11-5-2-8-14(17)21-20(23)22-15-9-3-6-12-18(15)25-19-13-7-4-10-16(19)22/h2-13H,1H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)phenothiazine-10-carboxamide?
N-(2-methoxyphenyl)phenothiazine-10-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 806725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).