N-benzylphenothiazine-10-carboxamide

C20H16N2OS — CID 705757

IUPACN-benzylphenothiazine-10-carboxamide
SMILESO=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H16N2OS/c23-20(21-14-15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h1-13H,14H2,(H,21,23)
InChIKeyZGPOCYPNYDVRTG-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.20
Rot. Bonds2

About N-benzylphenothiazine-10-carboxamide

N-benzylphenothiazine-10-carboxamide (PubChem CID 705757) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzylphenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-benzylphenothiazine-10-carboxamide
PubChem CID705757
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-benzylphenothiazine-10-carboxamide
SMILESO=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H16N2OS/c23-20(21-14-15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h1-13H,14H2,(H,21,23)
InChIKeyZGPOCYPNYDVRTG-UHFFFAOYSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzylphenothiazine-10-carboxamide?
The IUPAC name of N-benzylphenothiazine-10-carboxamide (CID 705757) is N-benzylphenothiazine-10-carboxamide.
What is the SMILES notation for N-benzylphenothiazine-10-carboxamide?
The canonical SMILES for N-benzylphenothiazine-10-carboxamide is O=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-benzylphenothiazine-10-carboxamide?
The InChIKey is ZGPOCYPNYDVRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c23-20(21-14-15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h1-13H,14H2,(H,21,23).
What are the key properties of N-benzylphenothiazine-10-carboxamide?
N-benzylphenothiazine-10-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylphenothiazine-10-carboxamide is sourced from PubChem (CID 705757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).