N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide

C21H18N2O2S — CID 1072452

IUPACN-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2O2S/c1-14-11-12-18(25-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24)
InChIKeyAQEPRZICCROUIE-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.84
Rot. Bonds2

About N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide

N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide (PubChem CID 1072452) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
PubChem CID1072452
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C21H18N2O2S/c1-14-11-12-18(25-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24)
InChIKeyAQEPRZICCROUIE-UHFFFAOYSA-N
XLogP5.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide (CID 1072452) is N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide is COc1ccc(C)cc1NC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
The InChIKey is AQEPRZICCROUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-14-11-12-18(25-2)15(13-14)22-21(24)23-16-7-3-5-9-19(16)26-20-10-6-4-8-17(20)23/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide?
N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 1072452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).