N-phenylphenothiazine-10-carboxamide

C19H14N2OS — CID 777336

IUPACN-phenylphenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H14N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h1-13H,(H,20,22)
InChIKeyYNMBQQBSDFDHFH-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.52
Rot. Bonds1

About N-phenylphenothiazine-10-carboxamide

N-phenylphenothiazine-10-carboxamide (PubChem CID 777336) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is N-phenylphenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-phenylphenothiazine-10-carboxamide
PubChem CID777336
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC NameN-phenylphenothiazine-10-carboxamide
SMILESO=C(Nc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H14N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h1-13H,(H,20,22)
InChIKeyYNMBQQBSDFDHFH-UHFFFAOYSA-N
XLogP5.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenylphenothiazine-10-carboxamide?
The IUPAC name of N-phenylphenothiazine-10-carboxamide (CID 777336) is N-phenylphenothiazine-10-carboxamide.
What is the SMILES notation for N-phenylphenothiazine-10-carboxamide?
The canonical SMILES for N-phenylphenothiazine-10-carboxamide is O=C(Nc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-phenylphenothiazine-10-carboxamide?
The InChIKey is YNMBQQBSDFDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h1-13H,(H,20,22).
What are the key properties of N-phenylphenothiazine-10-carboxamide?
N-phenylphenothiazine-10-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylphenothiazine-10-carboxamide is sourced from PubChem (CID 777336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).