1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide

C22H20N2O2S — CID 71285349

IUPAC1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide
SMILESO=C(NCCCc1ccccc1)N1c2ccccc2Sc2cccc(O)c21
InChIInChI=1S/C22H20N2O2S/c25-18-12-6-14-20-21(18)24(17-11-4-5-13-19(17)27-20)22(26)23-15-7-10-16-8-2-1-3-9-16/h1-6,8-9,11-14,25H,7,10,15H2,(H,23,26)
InChIKeyVFNRHIWQSOJOAC-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.34
Rot. Bonds4

About 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide

1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide (PubChem CID 71285349) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide
PubChem CID71285349
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide
SMILESO=C(NCCCc1ccccc1)N1c2ccccc2Sc2cccc(O)c21
InChIInChI=1S/C22H20N2O2S/c25-18-12-6-14-20-21(18)24(17-11-4-5-13-19(17)27-20)22(26)23-15-7-10-16-8-2-1-3-9-16/h1-6,8-9,11-14,25H,7,10,15H2,(H,23,26)
InChIKeyVFNRHIWQSOJOAC-UHFFFAOYSA-N
XLogP5.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide?
The IUPAC name of 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide (CID 71285349) is 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide?
The canonical SMILES for 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide is O=C(NCCCc1ccccc1)N1c2ccccc2Sc2cccc(O)c21.
What is the InChIKey of 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide?
The InChIKey is VFNRHIWQSOJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c25-18-12-6-14-20-21(18)24(17-11-4-5-13-19(17)27-20)22(26)23-15-7-10-16-8-2-1-3-9-16/h1-6,8-9,11-14,25H,7,10,15H2,(H,23,26).
What are the key properties of 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide?
1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(3-phenylpropyl)phenothiazine-10-carboxamide is sourced from PubChem (CID 71285349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).