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

C17H18N2OS — CID 705752

IUPACN-(2-methylpropyl)phenothiazine-10-carboxamide
SMILESCC(C)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-12(2)11-18-17(20)19-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)19/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHQRZNZVMYRWUSJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.65
Rot. Bonds2

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

N-(2-methylpropyl)phenothiazine-10-carboxamide (PubChem CID 705752) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-methylpropyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)phenothiazine-10-carboxamide
PubChem CID705752
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(2-methylpropyl)phenothiazine-10-carboxamide
SMILESCC(C)CNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-12(2)11-18-17(20)19-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)19/h3-10,12H,11H2,1-2H3,(H,18,20)
InChIKeyHQRZNZVMYRWUSJ-UHFFFAOYSA-N
XLogP4.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2-methylpropyl)phenothiazine-10-carboxamide (CID 705752) is N-(2-methylpropyl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2-methylpropyl)phenothiazine-10-carboxamide is CC(C)CNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-(2-methylpropyl)phenothiazine-10-carboxamide?
The InChIKey is HQRZNZVMYRWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-12(2)11-18-17(20)19-13-7-3-5-9-15(13)21-16-10-6-4-8-14(16)19/h3-10,12H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)phenothiazine-10-carboxamide?
N-(2-methylpropyl)phenothiazine-10-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 705752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).