N,N-diethylphenothiazine-10-carboxamide

C17H18N2OS — CID 705771

IUPACN,N-diethylphenothiazine-10-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3
InChIKeyVZWXJPGNJLOWRM-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.75
Rot. Bonds2

About N,N-diethylphenothiazine-10-carboxamide

N,N-diethylphenothiazine-10-carboxamide (PubChem CID 705771) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N,N-diethylphenothiazine-10-carboxamide.

Molecular Properties

Compound NameN,N-diethylphenothiazine-10-carboxamide
PubChem CID705771
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN,N-diethylphenothiazine-10-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C17H18N2OS/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3
InChIKeyVZWXJPGNJLOWRM-UHFFFAOYSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylphenothiazine-10-carboxamide?
The IUPAC name of N,N-diethylphenothiazine-10-carboxamide (CID 705771) is N,N-diethylphenothiazine-10-carboxamide.
What is the SMILES notation for N,N-diethylphenothiazine-10-carboxamide?
The canonical SMILES for N,N-diethylphenothiazine-10-carboxamide is CCN(CC)C(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N,N-diethylphenothiazine-10-carboxamide?
The InChIKey is VZWXJPGNJLOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethylphenothiazine-10-carboxamide?
N,N-diethylphenothiazine-10-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylphenothiazine-10-carboxamide is sourced from PubChem (CID 705771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).