3-phenothiazin-10-yl-N-phenylpropanamide

C21H18N2OS — CID 4116689

IUPAC3-phenothiazin-10-yl-N-phenylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C21H18N2OS/c24-21(22-16-8-2-1-3-9-16)14-15-23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
InChIKeyZVRWECHSZKIITD-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.32
Rot. Bonds4

About 3-phenothiazin-10-yl-N-phenylpropanamide

3-phenothiazin-10-yl-N-phenylpropanamide (PubChem CID 4116689) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N-phenylpropanamide.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N-phenylpropanamide
PubChem CID4116689
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name3-phenothiazin-10-yl-N-phenylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1
InChIInChI=1S/C21H18N2OS/c24-21(22-16-8-2-1-3-9-16)14-15-23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
InChIKeyZVRWECHSZKIITD-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N-phenylpropanamide?
The IUPAC name of 3-phenothiazin-10-yl-N-phenylpropanamide (CID 4116689) is 3-phenothiazin-10-yl-N-phenylpropanamide.
What is the SMILES notation for 3-phenothiazin-10-yl-N-phenylpropanamide?
The canonical SMILES for 3-phenothiazin-10-yl-N-phenylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1.
What is the InChIKey of 3-phenothiazin-10-yl-N-phenylpropanamide?
The InChIKey is ZVRWECHSZKIITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-21(22-16-8-2-1-3-9-16)14-15-23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24).
What are the key properties of 3-phenothiazin-10-yl-N-phenylpropanamide?
3-phenothiazin-10-yl-N-phenylpropanamide has a molecular weight of 346.46 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-yl-N-phenylpropanamide is sourced from PubChem (CID 4116689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).