3-phenothiazin-10-yl-N-prop-2-enylpropanamide

C18H18N2OS — CID 2396611

IUPAC3-phenothiazin-10-yl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H18N2OS/c1-2-12-19-18(21)11-13-20-14-7-3-5-9-16(14)22-17-10-6-4-8-15(17)20/h2-10H,1,11-13H2,(H,19,21)
InChIKeyZOELKVTYMYJUOA-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.98
Rot. Bonds5

About 3-phenothiazin-10-yl-N-prop-2-enylpropanamide

3-phenothiazin-10-yl-N-prop-2-enylpropanamide (PubChem CID 2396611) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N-prop-2-enylpropanamide
PubChem CID2396611
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-phenothiazin-10-yl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C18H18N2OS/c1-2-12-19-18(21)11-13-20-14-7-3-5-9-16(14)22-17-10-6-4-8-15(17)20/h2-10H,1,11-13H2,(H,19,21)
InChIKeyZOELKVTYMYJUOA-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N-prop-2-enylpropanamide?
The IUPAC name of 3-phenothiazin-10-yl-N-prop-2-enylpropanamide (CID 2396611) is 3-phenothiazin-10-yl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-phenothiazin-10-yl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-phenothiazin-10-yl-N-prop-2-enylpropanamide is C=CCNC(=O)CCN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 3-phenothiazin-10-yl-N-prop-2-enylpropanamide?
The InChIKey is ZOELKVTYMYJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-12-19-18(21)11-13-20-14-7-3-5-9-16(14)22-17-10-6-4-8-15(17)20/h2-10H,1,11-13H2,(H,19,21).
What are the key properties of 3-phenothiazin-10-yl-N-prop-2-enylpropanamide?
3-phenothiazin-10-yl-N-prop-2-enylpropanamide has a molecular weight of 310.42 g/mol, XLogP of 3.98, 5 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-prop-2-enylpropanamide is sourced from PubChem (CID 2396611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).