N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide

C24H18N2OS — CID 23102336

IUPACN-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H18N2OS/c27-24(25-16-18-10-7-9-17-8-1-2-11-19(17)18)26-20-12-3-5-14-22(20)28-23-15-6-4-13-21(23)26/h1-15H,16H2,(H,25,27)
InChIKeyNPSFCECKLBGOCU-UHFFFAOYSA-N
MW382.49 g/mol
LogP6.35
Rot. Bonds2

About N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide

N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide (PubChem CID 23102336) has the molecular formula C24H18N2OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide
PubChem CID23102336
Molecular FormulaC24H18N2OS
Molecular Weight382.49 g/mol
Exact Mass382.11
IUPAC NameN-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H18N2OS/c27-24(25-16-18-10-7-9-17-8-1-2-11-19(17)18)26-20-12-3-5-14-22(20)28-23-15-6-4-13-21(23)26/h1-15H,16H2,(H,25,27)
InChIKeyNPSFCECKLBGOCU-UHFFFAOYSA-N
XLogP6.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide (CID 23102336) is N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide is O=C(NCc1cccc2ccccc12)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide?
The InChIKey is NPSFCECKLBGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2OS/c27-24(25-16-18-10-7-9-17-8-1-2-11-19(17)18)26-20-12-3-5-14-22(20)28-23-15-6-4-13-21(23)26/h1-15H,16H2,(H,25,27).
What are the key properties of N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide?
N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 23102336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).